AI For Drug Discovery 2020
AI For Drug Discovery 2020
Corporations - 90
R&D Centers - 35
Investors - 600
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www.deep-pharma.tech
Table of Contents
AI for Drug Discovery Infographic Summary and Mind Maps 3 Introduction
Executive Summary 14 This 130-page “AI for Drug Discovery, Biomarker Development and
Advanced R&D Landscape Overview 2020” report marks the ninth
Pharma Efficiency: Challenges 16 installment in a series of reports on the topic of the Artificial Intelligence
Application of AI for Advanced R&D 18 (AI) application in pharmaceutical research industry that DKA Pharma
Division have been producing since 2017.
Business Activity 19
The main aim of this series of reports is to provide a comprehensive
AI in the global context 22 overview of the industry landscape in what pertains adoption of AI in
Top 50 AI for Drug Discovery Investors 23 drug discovery, clinical research and other aspects of pharmaceutical
R&D. This overview highlights trends and insights in a form of
AI for Drug Discovery Market Timeline 36 informative mind maps and infographics as well as benchmarks the
Pharma AI Deals performance of key players that form the space and relations within the
37
industry. This is an overview analysis to help the reader understand what
Corporation and AI-companies Participating in the Pharma AI Deals 39 is happening in the industry nowadays and possibly give an idea of what
Top 10 Leading Corporations by The Number of Major Pharma AI is coming next.
Deals 40 Substantial updates has been introduced since the previous edition,
which highlight fast-pacing industry dynamics, and overall growth of
Top AI and Tech Partners by the Number of Pharma AI Deals 41 investment and business development activity in the area of
Top AI Breakthroughs 2018-2020 42 pharmaceutical AI. The lists of AI-biotech companies, biotech investors,
and pharma organizations have been expanded to include new entities,
Computational Methods Used by the Most Advanced AI Companies 46 and a new list of leading contract research organizations (CROs) has
20 Notable R&D Use Cases of AI Application in Biopharma 55 been added to outline the growing interest of contract research industry
in the advanced data analytics technologies. We have also revisited data
Industry Developments 2020 95 and chapters from the last edition, and reflected on the changes that
Appendix: List of Entities 104 occured ever since.
Overview of Proprietary Analytics by Deep Pharma Intelligence Alongside investment and business trends, the report also provides
125
technical insights into some of the latest achievements in the AI
Disclaimer 130 application and research.
AI for Drug Discovery, Preclinical Clinical AI Companies - 240
Biomarker Development Development Development
Investors - 600
and Advanced R&D
Corporations - 90
Landscape / 2020
End-to-end Drug
Development Drug
Repurposing
AI Companies
Corporations
CRO
Early drug
development
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AI for Drug Discovery, Asia
AI Companies - 240
Biomarker Development
Investors - 600
and Advanced R&D Canada
Corporations - 90
Landscape / 2020
EU
China
AI Companies
Corporations
Australia
CRO
US
UK
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Pharma AI Deals Structure 2020
Pharma Pharma
AI Companies Corporations
AI Companies
Corporations
Comparison of Top-32 Leading AI for Drug Discovery
Companies Expertise in Drug Discovery R&D / AI
Expertise in Drug Discovery
Clinical pipeline
Preclinical pipeline
Expertise in AI
Deep Pharma Intelligence 6
30 Leading Companies in AI for Drug Discovery Sector
2 AI Therapeutics 17 Envisagenics
EU 13.4%
US 54.4%
China 2.5%
Australia 0.4%
Asia 8.4%
The US is still firmly in the lead in terms of its proportion of AI for Drug Discovery companies. Interestingly, Asia currently has the fifth-lowest
proportion of AI for Drug Discovery companies. However, Asia-Pacific region has begun to aggressively increase its activity in the space in terms of
investments into foreign companies (largely US-based companies), and we expect to see an increase in the number of AI for Drug Discovery
Companies located in the Asia-Pacific region generally, and in China particularly.
EU 13.5%
Asia 8.92%
US 64.9%
China 1.35%
The United States continues to lead the rest of the world in terms of artificial intelligence for companies and funds that invest in Drug Discovery. This
is reasonable, given that more than a half of the world’s AI for Drug Discovery companies have their headquarters in USA. Comparing with previous
periods of 2020, we can observe significant growth of the number of investors in the USA and EU. Thus, together with UK these regions are leaders by
the number of investors in AI in Drug Discovery companies.
UK 10%
EU 30%
US 55%
China 5%
The United States leads the AI race on the level of Contract Research Organizations as well, with 55% of CROs being based in the US. It is followed by
the European Union with around 30%. The other 10% have their headquarters in the UK. China represents only 5% of the AI-interested CROs, which
would probably increase in the following years due to Chinese strategy on AI implementation and large investments in the AI industry.
UK 8.6%
EU 31.4%
US 37.1%
China 5.7%
Asia 17.2%
Following the trend from our previous reports the map indicates that the US leads the world in terms of the number of R&D Centers focused on AI for
Drug Discovery. This is sensible within the context of the recent increase in the number of investors that invest in AI for Drug Discovery space within
the territory of United States. The same trend can be observed in European Union as it demonstrates second biggest figure of investors’ part in the
world that results in second biggest share of Leading R&D Centers.
UK 7% Switzerland 7%
EU 23%
US 40%
Asia 23%
The industry is seeing an increasing level of regional diversification. Whereas historically the US has dominated the AI for Drug Discovery race in
terms of the number of AI companies, the volume of investments and number of industry specialized conferences, in 2019 we are seeing an
increased level of activity from the UK, Switzerland and China.
Switzerland 5%
EU 20%
US 45%
China 10%
Asia 20%
The US is the leader according to the number of tech corporations applying advanced AI in healthcare and drug discovery. EU leads the world in terms
of the number of Chemical Corporations. The second biggest figure can be observed in Asia while the US is in the third place. This is sensible within
the context of the recent increase in the chemical industry in EU that overweight the US and Asian markets of chemical substances and related
products. A lot of these chemical corporations are participating in cooperations and partnerships that are aimed at drug discovery and are related to
pharmaceutical issues.
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This Report at a Glance
This 130-page “AI for Drug Discovery, Biomarker Development and Advanced R&D Landscape Overview 2020” report marks the ninth installment in a
series of reports on the topic of the Artificial Intelligence (AI) application in pharmaceutical research industry that DKA Pharma Division have been
producing since 2017.
The main aim of this series of reports is to provide a comprehensive overview of the industry landscape in what pertains adoption of AI in drug
discovery, clinical research and other aspects of pharmaceutical R&D. This overview highlights trends and insights in a form of informative mind maps
and infographics as well as benchmarks the performance of key players that form the space and relations within the industry. This is an overview
analysis to help the reader understand what is happening in the industry nowadays and possibly give an idea of what is coming next.
Substantial updates has been introduced since the previous edition, which highlight fast-pacing industry dynamics, and overall growth of investment
and business development activity in the area of pharmaceutical AI. The lists of AI-biotech companies, biotech investors, and pharma organizations
have been expanded to include new entities, and a new list of leading contract research organizations (CROs) has been added to outline the growing
interest of contract research industry in the advanced data analytics technologies. We have also revisited data and chapters from the last edition, and
reflected on the changes that occured ever since.
Alongside investment and business trends, the report also provides technical insights into some of the latest achievements in the AI application and
research.
This report has been put together taking into account the unprecedented global COVID19 pandemics, which substantially
impacted every industry on the planet, pharma and biotech not being an exception. Quite expectedly, COVID19 brought about
quite a few opportunities for the drug makers and vaccine developers and in general, it catalyzed more rapid progress in the
pharmaceutical AI space as well. Not only a lot of AI-assisted drug repurposing programs have been launched in first half of
2020, but also the research environment has become more collaborative, with lots of open science project, and numerous
companies opening free access to their platforms. However, COVID19 also created major challenges for the pharma industry,
such as disruptions in clinical trials and regular research projects and lab workflows. However, our findings related to COVID19
impact on the biotech investment landscape will be presented in the upcoming report, dedicated specifically to this issue.
Target Discovery and Early Drug Discovery Design and Processing of Preclinical Experiments
● Analyze data sets, form hypotheses and generate novel insights ● Reduce time, money, and uncertainty in planning experiments
● Identify novel drug candidates ● Decode open- and closed-access data on reagents and get
● Analyze data from patient samples in both healthy and diseased actionable insights
states to generate novel biomarkers and therapeutic targets ● Automate selection, manipulation, and analysis of cells
● Predict binding affinity and other pharmacological properties of ● Expedite development of cell lines and automate manufacturing of
molecules cellular therapeutics
● Allow filtering for drug-like properties of molecules ● Automate sample analysis with a robotic cloud laboratory
● Reduce complexity in protein design
Repurposing of Existing Drugs
● Rapidly identify new indications for many known drugs
Clinical Trials ● Match existing drugs with rare diseases
● Optimize clinical trial study design ● Conduct experimental biology at scale by testing 1000+ of
● Transform diverse streams of biomedical and healthcare data compounds on 100+ of cellular disease models in parallel
into computer models representative of individual patients ● Generate novel biomarkers and therapeutic targets
● Deliver personalized medicine at scale by revealing optimal health
interventions for individual patients
Aggregation and Synthesis of Information
● Analyze medical records to find patients for clinical trials
● Automate matching cancer patients to clinical trials through ● Extract knowledge from literature
personal medical history and genetic analysis ● Generate insights from thousands of unrelated data sources
● Improve pathology analysis ● Improve decision-making
● Identify patients that would benefit from novel therapies ● Eliminate blind spots in research
● Identify competitive whitespace
1. The segment of pharmaceutical AI continues consolidation with the increasing number of later stage mega-rounds, including those of
Insitro (), Recursion Pharmaceuticals, XtalPi and others. The AI startups pack is clearly differentiating into the leaders, who developed
substantial resources, financial leverage, and technological advantage, and others lagging behind -- companies with less resources or less
mature technology and scientific assets. The latter are usually focused on narrow therapeutic or technological niches, and are following
service-oriented business models.
2. Pharmaceutical AI sector is “heating up”, and becomes a lucrative area for specialized biotech investors as well as investor organizations
just entering the pharma space with a goal of including high-risk/high-return companies in their investment portfolios. This is backed by
several observations, including an overall increasing investment activity in this sector in 2020, the increasing rush among leading pharma
and contract research organizations (CROs) to compete for partnerships with AI-driven companies, and the increasing amount of
proof-of-concept breakthroughs, confirming that AI technology has achieved substantial maturity to be able to bring tangible value for drug
discovery -- far beyond a simple optimization gain.
3. Big pharma and contract research organizations increasingly compete for AI partnerships, and continue building in-house AI
workflows -- driven by rapidly emerging evidence of the AI tech feasibility and innovation potential. A number of highly notable
proof-of-concept results has been announced in 2019-2020.
4. COVID-19 pandemics appears to be a positive catalyst for the acceleration of the AI adoption by the pharmaceutical organizations.
This is primarily stipulated by the necessity to rapidly process vast amounts of data, and come up with innovations under strict deadlines.
Therefore, this urgency pushed companies and investors into more opportunistic projects than ever before.
1. AI is regarded by some top executives at big pharma (GSK 1. Global shortage of AI talent continues to be a serious challenge
and others) as a tool to uncover not only new molecules, but for the biopharma industry, repeating the trend from our previous
also new targets. Ability of deep neural networks to build reports. While big pharmaceutical companies invest substantial
ontologies from multimodal data (e.g. “omics” data) is capital in recruitment of AI specialists, still the majority of them are
believed to be among the most disruptive areas for AI in drug acquired by large tech corporations (Google, Amazon, Alibaba,
discovery, alongside with data mining from unstructured data, Tencent, Baidu etc.) However, a growing wave of specialized
like text (using natural language processing, NLP). university programs and courses, geared towards data science and
AI application, is projected to address this issue to certain extent in
2. There is a considerable trend for “AI democratization” where the coming years.
various machine learning/deep learning technologies become
available in pre-trained, pre-configured “of-the-shelf” formats, 2. Lack of available quality data is still a challenge for the
or in relatively ready-to-use formats -- via cloud-based models, unleashing full potential of deep learning technologies. Numerous
frameworks, and drag-and-drop AI-pipeline building platforms variations of deep learning (DL) are believed to be the most
(for example, KNIME). This is among key factors in the lucrative area of AI for applications such as drug discovery and
acceleration of AI adoption by the pharmaceutical clinical research. The key challenge is that DL algorithms are
organizations -- where a non-AI experts can potentially use “data-greedy”, while big data in biotech is not always well-versed
fairly advanced data analytics tools for their research. for modeling, or is inaccessible due to privacy reasons.
3. Proof-of-concept projects keep yielding successful results -- 3. Ethical, legal, and regulatory issues for AI adoption in the
in research studies, and in the commercial partnerships alike. pharmaceutical sciences. This set of challenges is related to the
For example, companies like Recursion Pharmaceuticals and previous point, but also includes other questions -- AI explainability,
Exscientia achieved important research milestones using their patentability of AI-generated results, non-optimal regulations in
AI-based drug design platforms. various countries, slowing down the progress and adoption of AI
technologies in general, and in the pharmaceutical industry in
particular.
Deep Pharma Intelligence 21
AI in the global context
US is a main player in AI industry. In the beginning of AI implementation, US was a pioneer and then the main player with the greatest number of
companies using AI to force R&D, research centres and institutes, and investments. However, we observe the increased level of the UK and EU activity
through big corporations that use AI to reorganise drug discovery and in launching government initiatives. It is also important to note a great increase
in activity from the Asia-Pacific region generally, and particular from China — AI superpower.
China engages in extensive investment activity. In particular, it has promised to invest $5 billion in AI. Tianjin, one of the biggest municipalities, is
going to invest $16 billion in its local AI industry, and the Beijing authorities will build $2.12 billion AI development project. China also has at least ten
privately owned AI startups valued at more than US$1 billion. Moreover, China has been heavily investing in biotech R&D, although lately a serious
decrease in Chinese investment in US biotech startups has been observed which can be explained by the trade conflicts between the US and China.
China plans to become the world AI leader by 2030, according to the AI Strategic Plan released in July 2017. The analysis of the the Asia-Pacific
region has shown that the main forcers of AI implementation include Saama Technologies, Inc., a leading clinical data analytics company. It has
announced a collaboration with researchers at the Tufts Center for the Study of Drug Development to ascertain how biopharmaceutical companies
optimize automation and information technologies, including machine learning and neural networks, to support the research and development of new
therapeutics. Moreover, XtalPi provides a huge number of talent to work with machine learning, create drug discovery and development applications
that predict the properties of small molecules. Another innovators of Asian AI industry are Cytlimic and Fujitsu that offer software for predicting how
well compounds will bind with each other and proteins.
Europe has traditionally been a strong breeding ground for biopharma activity, with some recent large valuations and mega deals. The UK and EU
activity in the pharmaceutical AI race is mainly boosted by Novartis that announced an important step in reimagining medicine by founding the
Novartis AI innovation lab and by selecting Microsoft Corp. as its strategic AI and data-science partner for this effort. Furthermore, GlaxoSmithKline
has announced a few deals with companies such as Exscientia, Insilico Medicine, Insilico Biotechnology to use new computer modelling systems.
BenevolentAI, a global leader in the application of AI for scientific innovation, also has several high-profile research collaborations, including
AstraZeneca, and licensed in a group of drugs to develop from Janssen in 2016. This all demonstrate that Pharma is increasingly turning to AI to
transform the drug discovery process.
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Investment landscape at a glance (Q4 2019 — 2020)
The total amount of VC funding in AI-biotech startups increased in
2020 (as of November) by around 23%, compared to 2019,
approaching a total of $1.9B, which is also more than in 2015, 2016
and 2017 combined.
New York
California
Massachusetts
United States
Palo Alto Atlas Venture
Other States Cambridge, Massachusetts, US
StartX Bill & Melinda Gates SoftBank Vision Fund
Palo Alto, California, US
Foundation General Catalyst London, England, United Kingdom
Cambridge, Massachusetts, US
Seattle, Washington, US
AME CLoud Ventures Amadeus Capital Partners
Palo Alto, California, US Lili Ventures London, England, United Kingdom
Indianapolis, Indiana, US SR One
Illinois Cambridge, Massachusetts, US
Vertex Ventures
Baillie Gifford
Palo Alto, California, US SOSV Edinburgh, Edinburgh, United Kingdom
OS Fund Princeton, New Jersey, US Third Rock Ventures
Mountain View Park Ridge, Illinois, US
Celgene
Boston, Massachusetts, US
United UK Innovation & Science Seed Fund
Y Combinator ARCH Venture Partners Summit, New Jersey, US F-Prime Capital Kingdom Harwell, Oxfordshire, United Kingdom
Source: BioPharmaTrend
Deep Pharma Intelligence 28
50 Leading Investors Portfolios of leading
AI in Drug Discovery (Part 1) biotech investors
include startups from
the list of Top 30
Other AI Companies
Investors
Top-30 AI
Companies
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50 Leading Investors Portfolios of leading
AI in Drug Discovery (Part 2) biotech investors
include startups from
the list of Top 30
Other AI Companies
Investors
Top-30 AI
Companies
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Top-50 Investors in AI Companies
INVESTORS AI Companies Investments overall
10 AI for Drug Discovery Alector, Arzeda, Celsius Therapeutics, Flatiron Health, Foundation Medicine, Gritstone
Casdin Capital Companies
11 Oncology, Insitro, Neon Therapeutics, Recursion Pharmaceuticals, Relay Therapeutics
Creative 10 AI for Drug Discovery Atomwise, BenchSci, Biotx.ai, Deep Genomics, Entropica Labs, Kyndi, NetraMark,
Companies
10
Destruction Lab Phenomic AI, ProteinQure, WinterLight Labs
9 AI for Drug Discovery Athelas, Atomwise, Cambridge Cancer Genomics, CloudMedX, PostEra, Reverie Labs,
Y Combinator Companies
14 Strateos, uBiome, Verge Genomics
8 AI for Drug Discovery Relay Therapeutics, TARA Biosystems, BlackThorn Therapeutics, Celsius Therapeutics,
Alexandria Venture Companies
11
GNS Healthcare, Gritstone Oncology, Ideaya Biosciences, Insitro
6 AI for Drug Discovery Arzeda, Atomwise, Emerald Cloud Lab, TwoXAR, uBiome, Verge Genomics
OS Fund Companies
9
AME 5 AI for Drug Discovery Atomwise, BioAge Labs, Cambridge Cancer Genomics, Recursion Pharmaceuticals,
Companies
11
Cloud Ventures Strateos
5 AI for Drug Discovery BioAge Labs, LabGenius, ProteinQure, Recursion Pharmaceuticals, Spring Discovery
Felicis Ventures Companies
10
StartX (Stanford- 5 AI for Drug Discovery Bioz, Globavir Biosciences, NuMedii, TwoXAR, uBiome
Companies
7
StartX Fund)
Third Rock 5 AI for Drug Discovery
Companies
11 Celsius Therapeutics, Foundation Medicine, Insitro, Neon Therapeutics, Relay Therapeutics
Ventures
4 AI for Drug Discovery Arrakis Therapeutics, Exscientia, GNS Healthcare, Ideaya Biosciences
Celgene Companies
5
UK Innovation & 4 AI for Drug Discovery Antiverse, Cytox, Desktop Genetics, Synthace
Companies
6
Science Seed Fund
Alexandria 4 AI for Drug Discovery Arbor Biotechnologies, BlackThorn Therapeutics, GNS Healthcare, Ideaya Biosciences
Companies
5
Real Estate Equities
4 AI for Drug Discovery
500 Startups Companies
5 Massive Bio, Strateos, uBiome, BenchSci
Johnson & Johnson 3 AI for Drug Discovery Aetion, BlackThorn Therapeutics, Datavant
Companies
4
Innovation
Two Sigma 3 AI for Drug Discovery Recursion Pharmaceuticals, Verge Genomics, Antiverse
Companies
5
Ventures
● Because AI is still a young approach within the life sciences, many pilot projects failed, creating a lot of
criticism towards the use of deep learning for Drug Discovery and Advanced R&D.
Criticism 2016-2017
● Since then the race for the acquisition of the best, AI startups began.
● Testing of the technology began.
Transition ● It is going to be an important milestone in transitioning from the quantity of AI-related collaborations,
from quantity 2019
investments, and M&As to qualitative gains — first practical validations of previously conducted research
to quality
might be appearing during this year.
● Competition for the most successful pharma AI companies will increase drastically.
Intensive 2020-2021
● Pretty much all big players in pharma industry are concerned with AI adoption, the tech has become a
competition
strategic priority, among other things.
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A growing number of collaborations involving AI for drug discovery
Summarizing industry observations over the last five years, we can observe a
fundamental shift in perception of top executives at leading pharmaceutical
organizations about the need of advanced AI technologies. Since 2015, there has
been an obvious shift in the perception from skepticism and cuasious interest, all
the way to a realization of a strategic role AI has to play in the emerging
“data-centric” model of innovation. This change in perception was underpinned by
a number of factors:
Tech Partners
Implications
Implications
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Notable AI Breakthroughs
March, 2018
IBM Watson released a cognitive computing platform for Clinical trial matching that has shown significant improvement in patient enrollment rate at
Mayo Clinic. Since its implementation in the Mayo clinic in 2016, the platform demonstrated an 80% increase in enrollment in clinical trials for breast
cancer. The platform also significantly reduced the time to match a clinical trial to one patient.
October, 2018
Healx has prepared a rare disease drug for a Phase 2a clinical trial in 15 months. Healx has demonstrated the power of combining domain expertise,
deep learning, and proprietary data. As a result, the company implemented a scalable platform for drug discovery — Healnet. The drug was created
for the of Fragile X syndrome. It tooks 15 month to conduct lead discovery, preclinical validation, and submitting a publication.
December, 2018
DeepMind built AlphaFold platform to predict 3D protein structure that outperformed all other algorithms. AlphaFold won the CASP13 competition.
AlphaFold was able to most accurately predict the shape for 25 of the 43 proteins from scratch without using previously solved proteins as
templates. AlphaFold uses two methods based on deep neural networks: one is trained to predict the distances between pairs of certain amino
acids, and the other estimates the possible angles of chemical bonds between them.
January, 2019
Recursion Pharmaceuticals has announced progress in its collaboration with Takeda. Recursion has evaluated Takeda’s preclinical and clinical
molecules in over 60 indications in less than 18 month. New drug candidates were identified for 15 indications. Recursion’s AI-enabled drug
discovery platform combines massive biological data generation at scale with state-of-the-art machine learning that can draw meaning from
millions of microscopy images generated in Recursion’s laboratory with Takeda’s compounds.
1. Insilico Medicine has published a research paper about the first in vivo active drug candidate developed from scratch (de-novo) using GENTRL
system. GENTRL system is a modular drug design platform based on generative adversarial networks (GANs) and other machine learning methods.
A new candidate has been developed staggeringly quickly: in 46 days, including target selection.
2. Deep Genomics created DG12P1 drug using an AI-augmented drug design. It is an antisense oligonucleotide therapy designed via their platform AI
Workbench to treat rare Wilson disease, leading to copper accumulation in the liver, brain and other vital organs. The discovery took under 18 month
from the concept to an actual clinical trials-ready drug candidate, which is way faster compared to classical approaches. Deed Genomics platform
screened over 2,400 diseases and over 100,000 pathogenic mutations. It predicted and confirmed the precise disease-causing mechanism of the
mutation Met645Arg. Then it identified 12 lead candidate molecules.
January, 2020
1. Mendel Recruit proprietary platform could increase patient enrollment for clinical trials by 24-50%. Mendel Recruit platform was applied
retroactively to two completed oncology clinical studies and one that failed to recruit patients at a clinical trial site. Using the Mendel.ai platform
resulted in a 24-50% increase over the standard practice in the number of patients correctly identified as potentially eligible. Mendel applied AI
algorithms that combine the recognition of scanned documents with natural language understanding of clinical records and automated clinical
reasoning.
2. A new drug candidate, DSP-1181, created using Exscientia Centaur Chemist Artificial Intelligence platform began clinical study. The drug was
developed together with Sumitomo Dainippon Pharma for the treatment of obsessive-compulsive disorder, it was advanced to Phase 1 clinical trials.
Less than 12 months was spent to complete the exploratory research phase when it typically takes 4.5 years.
Scientists from MIT discovered halicin — a new super powerful antibiotic capable to kill 35 the world’s most problematic disease-causing bacteria,
including multiresistant strains. In experiments with E. coli, this bacteria didn’t develop resistance during 30 days. The model applied was able to
screen more than a hundred million chemical compounds in a matter of a day, and is designed to pick out potential antibiotics that kill bacteria using
different mechanisms than those of existing drugs.
September, 2020
1. Aladdin has built a platform for the early diagnostics of Alzheimer’s disease and COVID-19. The company is building biomedical knowledge graphs
— PharmaKG — around age-related disease to reveal mechanisms and potential drugs by uncovering key relationships between disease, genes,
chemical compounds and drugs. Disease Diagnosis platform uses AI and multimodal data, including biomarkers, imaging, blood samples, medical
records, ect.
2. MELLODDY — the ‘Machine Learning Ledger Orchestration for Drug Discovery’ group — was created by ten pharma companies to jointly develop
ML models without sharing data. MELLODDY leverages the world’s largest collection of small molecules with known biochemical or cellular activity
to provide more accurate predictive models and improve drug discovery efficiency. MELLODDY is trying to achieve this by creating a flexible, scalable,
and secure framework for federated and privacy-preserving machine learning that can train and evaluate predictive models related to drug discovery.
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Computational Methods Used by the Most Advanced AI Companies
AtomNet is the first drug discovery algorithm to use a deep convolutional neural
Machine Learning, Deep Learning network. It excels at understanding complex concepts as a combination of
Atomwise (Convolutional neural networks), smaller and smaller pieces of information. AtomNet has been predicting new
cheminformatics potential treatments for two years. It has already explored questions in cancer,
neurological diseases, antivirals, antiparasitics, and antibiotics.
Machine Learning, Deep Learning, Evolved from text mining and semantic linking into knowledge graphs. Recent
BenevolentAI
symbolic AI, cheminformatics small efforts into DL and computational chemistry mostly for PR.
Analyze data from patient samples in both healthy and diseased states to
Machine Learning, Deep Learning, generate novel biomarkers and therapeutic targets. Allows researchers to:
Berg
bioinformatics Generate therapeutic targets from biological data in an unbiased way, and
implement personalized medicine at scale.
Process raw phenotypic, imaging, drug, and genomic data sets. Allows
NLP, Deep Learning, Machine researchers to: Integrate rapid analytics and machine learning capabilities into
BioSymetrics
Learning existing business processes to improve care, enhance discoveries, gain insight
into business, and enable fast data-driven decisions.
Bioz has developed a search engine for Life Sciences community using natural
NLP, Deep Learning, Machine language processing and machine learning technology to scan hundreds of
Bioz
Learning millions of pages of complex and unstructured scientific papers on the web. Then
it helps summarize the information into usable visualized format.
Euretos provides direct access to the cloud based discovery platform via user
Machine Learning, Deep Learning, friendly application. It also allows API Integration of the discovery platform in
Euretos
bioinformatics user’s company’s IT environment/workflows, as well as Integration of company
proprietary data and public data in a secure environment.
Machine Learning, Deep Learning, ML for predicting ADME, novelty, synthetic accessibility, pharmacology of
Exscientia
bioinformatics, cheminformatics molecules. Single and multi-target prediction.
Machine Learning, Deep Learning, Iktos has invented and is developing a a technology based on DL for ligand-based
Iktos
cheminformatics de novo drug design, focusing on multi parametric optimization (MPO).
Molecular design and analysis. With over 40 years of drug hunting experience
across all major target classes in 6 disease areas both in Lead Generation, Lead
MedChemica Machine Learning, cheminformatics
Optimisation and method development our goal is to accelerate the progress of
our clients programmes.
nferX uses state-of-the-art Neural Networks (shallow and deep learning models)
nference NLP, Deep Learning for real-time, automated extraction of knowledge from the commercial, scientific,
and regulatory body of literature.
Deep Learning (TensorFlow + Keras World's first protein database specifically for Deep Learning and AI applications
Peptone
base) with full Keras™ and Tensorflow™ integration.
Evolutionary algorithms, Machine ML-based structure based predictive models for potency and ADMET/PK
Reverie Labs
Learning properties of small molecules
ReviveMed’s platform for the first time enables the rapid, high-throughput, and
cost-effective application of metabolic data to discover new disease mechanisms
ReviveMed Machine Learning, Deep Learning
for drug discovery and, simultaneously metabolomic biomarkers to identify which
patients stand to benefit by targeting the disease mechanism.
CytoReason turns human clinical data into clear biology, to deliver data-driven
Machine Learning, Deep Learning,
target discovery and drug development. CytoReason’s access to unmatched
CytoReason symbolic AI, cheminformatics,
proprietary and public data, combined with cutting-edge machine learning
bioinformatics
technologies, creates their unique biological models of disease, tissue and drug.
Machine Learning, Deep Learning, Deep Genomics is using artificial intelligence to build a new universe of life-saving
Deep Genomics
bioinformatics genetic therapies.
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Introduction to Most Innovative R&D Approaches of AI in Biopharma
The industry of AI in Biopharma continues to grow after a long period of skepsis, which is reflected in ongoing flow of investments and increase in the
number of collaborations between pharmaceutical corporations and AI companies in 2020 compared to 2019 and previous years. The difference
between Pharma and Biopharma fields is that biopharma medicines and drug products are manufactured in living organisms like bacteria, yeast and
mammalian cells. The prefix “bio” refers to how drugs are produced. Biopharma is the subset of drugs produced by biological methods.
Pharmaceutical drugs cover biological means as well as chemical synthesis.
The Biopharma industry’s growth dynamics is largely influenced by the more active participation of largest pharmaceutical corporations in the
AI-related investment and research collaborations. Despite some Pharma corporations still being critical about AI applications, the volume of
research, number of scientific publications in the field of AI in Biopharma, and research collaborations between pharma companies and AI-expertise
vendors are rapidly increasing.
Research in AI is facing challenges today, but the demand for the ML/AI technologies, as well as for ML/AI talent, is growing in pharmaceutical and
healthcare industries and driving the formation of a new interdisciplinary field — data-driven drug discovery/healthcare. The overall success of all the
companies in the industry depends strongly on the presence of highly skilled interdisciplinary leaders. It will be crucial to hire top AI experts, especially
for Big Pharma companies that are fighting to survive.
Trending and most innovative R&D approaches of top AI in Biopharma companies include application of:
Cognitive
Deep Natural Language
Machine Learning Reasoning
Learning Processing
Technologies
Parkinson's
Disease
Source Crunchbase
2. The sub-study was part of a larger Phase 2, multicenter, randomized, double-blind, placebo-controlled, dose-ranging, parallel-group, study in
nonsmoking subjects with schizophrenia who were clinically stable. Subjects were enrolled and randomized to placebo or ABT-126. The AiCure
platform was introduced in 10 of 31 US sites; subjects were monitored either by AiCure or by modified Directly Observed Therapy (mDOT) at
least 3 times per week. In addition, adherence was measured by review of returned study drug blister and scheduled pharmacokinetic sampling.
3. Results: cumulative adherence, measured by study drug concentrations above the LLOQ (minimum required therapeutic level), were higher
through 24 weeks for subjects monitored using the AiCure platform (89.7%) compared with subjects monitored using mDOT (71.9%). This
research adds to the growing body of scientific evidence showing the advantages of using AI to increase statistical power and reduce sample
size in clinical trials, thereby decreasing costs and accelerating drug development.
Source AstraZeneca
Researchers can ask key questions to help identify and prioritise drug targets
2. Discovering a potential drug molecule requires several years of detailed scientific research. AI is enabling us to rapidly generate novel ideas for
molecules to make and rank these ideas using predictions based on large data sets available to us. Having identified promising molecules, the
next step is to synthesise the molecules in the laboratory. AI is starting to help here too – the science of synthesis prediction is rapidly evolving
and scientist will soon be able to use AI to help deduce the best way to make a molecule in the shortest time.
3. AI systems are trained to assist pathologists in analysing samples accurately and more effortlessly. This has the potential to cut analysis time
by over 30%. For one of their AI systems, they implemented an approach inspired from how some self-driving cars understand their
environment. They trained the AI system to score tumour cells and immune cells for a biomarker, called PD-L1, which has potential to help
inform immunotherapy-based treatment decisions for bladder cancer.
Source Wired
2. Amgen have created a project team to look for a system algorithm that could replicate and perhaps improve upon the manual process. The goal
was to think big but start small and build a product that could be deployed across the manufacturing network. Using an agile development
approach and natural language processing (NLP) tools, the team developed a consistent algorithm that was able to reasonably replicate the
manual process.
NLP is described as an AI technology that turns text into numbers, which can be read by a computer and used to identify similar records. Each
record has a series of numbers associated with it that can be analyzed to create similarity scores. The records can then be clustered together.
Those clusters can then be given to an subject matter expert, who can decide if there is trending and if action should be taken. Feedback can
then be given to the algorithm, which can be adjusted.
Parkinson's
Disease
Source Boehringer
Autoimmunity
● to identify and standardize PV knowledge
elements;
● to develop, review and validate cognitive services;
Cancer ● to increase operational efficiency, consistency,
quality of data collection, and signal detection.
Cooperation:
Pharmacovigilance
● GNS Healthcare
Source Springer
Biomarkers
Source GSK
Cooperation:
● insitro
Nonalcoholic
Steatohepatitis
Source Gilead
3. The insitro Human (ISH) platform applies machine learning, human genetics and functional genomics to generate and optimize unique in vitro
models and drive therapeutic discovery and development. The ISH platform provides insights into disease progression, suggest candidate
targets, and predict patient responses to potential therapeutic interventions. Gilead can advance up to five targets identified through this
collaboration and is responsible for chemistry and development against these targets.
Fibrosis
2. Insilico Medicine has developed GENTRL (Generative Tensorial Reinforcement Learning), a new artificial intelligence system for drug discovery
that dramatically accelerates the process from years to days (from 3 years to 21 days before first synthesis and trials). In the industry’s first
successful experimental validation of such AI technology for drug discovery in cells and animals, Insilico successfully tested the technology by
creating a series of entirely new molecules capable of combating disorders like fibrosis.
3. The system bucks the standard brute-force approach for AI drug development, which involves screening millions of potential molecular
structures looking for a viable fit, in favor of a creative AI algorithm that can imagine potential protein structures based on existing research and
certain preprogrammed design criteria. Insilico's system initially produced 30,000 possible designs, which the research team whittled down to
six that were synthesized in the lab, with one design eventually tested on mice to promising results.
Inflammation
● to deliver highly specific, efficient and
life-changing health solutions;
Cooperation:
Skin Diseases ● BASF
Source Nuritas
2. Novo Nordisk is the first pharma partner to sign up to use the GAIN platform, which taps into genome-wide association study (GWAS) data to
find mutations in DNA linked to disease traits and – according to the UK company – bridges the gap between genetic susceptibility and disease
mechanism. While many gene variants discovered using GWAS studies often don’t map to a plausible biological mechanism, e-Therapeutics
says its “network biology” approach can improve the hit rate.
3. Using GAINs, the company will be able to interrogate genomics data from patients with complex, polygenic disease and shed new light on
important and novel biological pathways for particular groups of patients.
Source Pfizer
Cognitive
Natural language
Machine learning reasoning
processing
technologies
Supporting the identification of new drug targets, combination therapies for study, and patient selection
strategies in immuno-oncology
2. Pfizer uses newly launched Watson for Drug Discovery, a cloud-based offering that aims to help life sciences researchers discover new drug
targets and alternative drug indications. The average researcher reads between 200 and 300 articles in a given year 2, while Watson for Drug
Discovery has ingested 25 million Medline abstracts, more than 1 million full-text medical journal articles, 4 million patents and is regularly
updated. Watson for Drug Discovery can be augmented with an organization's private data such as lab reports and can help researchers look
across disparate data sets to surface relationships and reveal hidden patterns through dynamic visualizations.
3. AI systems are used in progressive ways to analyze data, to uncover new information or insights related to patient needs.
Diabetes
Neurodegenerative
Diseases
Source Roche
2. AI could revolutionise the way ophthalmologists diagnose diabetic macular edema (DME), a complication of diabetes that causes a thickening
of the retina that can lead to irreversible blindness if left untreated. The best way to prevent DME is through regular eye exams that use a
technique called colour fundus photography (CFP) and optical coherence tomography (OCT). The company's researchers use deep learning to
teach computers how to estimate macular thickness from CFP images, making DME diagnosis easier, so they gave their computers a large set
of CFP and OCT data from participants in two large DME clinical trials to train on.
The deep learning system examined a total of 17,997 CFP images from ~700 patients and compared them with corresponding OCT thickness
measurements. Deep learning could even do a reliable job of predicting the actual OCT measurement of the macula’s thickness from a CFP
image if it was of sufficient quality.
Cancer Cooperation:
Pneumonia
● Google
Central Nervous
System
Heart Diseases
Source Crunchbase
Mouthlab
1. MouthLab is a single, noninvasive device that measures more than 10 different health indicators in less than a minute. The AI-powered system
uses the patient’s mouth and hand to measure in real-time vital health signs typically monitored at the doctor’s office, including respiratory rate,
pulse, electrocardiogram, blood oxygen saturation, temperature, blood pressure, and several lung functions. In addition, the device connects to
the cloud, so patient data is accessible in real time to physicians and caregivers. By making this data easily available, Sanofi aims to reduce
hospitalizations, patient costs and risks.
Wavy Assistant
2. Wavy Assistant delivers continuous real-time heart health monitoring using voice and AI solutions. After a patient’s data is collected and
analyzed, Wavy can provide advice tailored to that individual. Our heart health monitoring solution uses a smart home speaker as its main user
interface, which allows customers to interact with their heart health easily through a natural conversation instead of a mobile app. If the system
detects something is wrong, Wavy instantly sends an emergency signal to designated doctors, friends and family. It can also trigger an
immediate alert during emergency situations. Almost all heart attacks and strokes happen at home and most of the damage occurs because
the emergency services are called too late.
LIFEdata
3. LIFEdata is an intuitive, easy to use AI platform that automates personally tailored conversational experiences across all channels. In terms of
user experience, healthcare is no different than any other industry.
Source Sanofi
ChatbotPack.com
4. Сomputers that understand humans through text and voice are Sanofi’s solution for healthcare with many applications. Voice
technologies are used to detect, e.g. flu—or a general decline in condition—before it gets worse (e.g. pneumonia). A device in the
elderly person's home can analyze changes in a person's voice and detect symptoms early on. It helps homecare and home nurses
to detect their patients’ illness before they need hospital care.
Mentalab
5. Mentalab combines a wearable patch that can measure electrocardiogram biosignals continuously, with a cloud-based analysis service to
diagnose and monitor cardiac and respiratory conditions. The patch can be applied by patients directly, and worn throughout their daily
activities, while data is transmitted and analyzed seamlessly. In site-less clinical trials, this solution can increase patient engagement and
participation rates.
NeuroAdvise
6. NeuroAdvise is a clinical decision support tool available as a mobile application that helps physicians make better clinical decisions. Our
system can archive all demographic and clinical patient-related information in a classified manner. Data is currently stored without patient
identity according to time and date. NeuroAdvise algorithms are simulations of a clinician’s mental diagnostic process and most of the
important diagnostic factors are included in its comprehensive database. It only takes a few seconds for the user to access the list of
differential diagnosis, which are sorted in order of probability and unique for each patient. The system is flexible with unlimited capacity for
adding new symptoms, disorders and diagnostic tests.
CART
7. A ring-design cardio tracker, or CART, can provide continuous monitoring of vital signs in real-world clinical trials and can be worn easily in
daily life.
Source Sanofi
Central Nervous
System
Analyse & Design To generate its datasets Recursion Pharmaceuticals is primarily focused on:
Predict Experiment
Data reliability and relatability
By generating its own quality-controlled data, fit-for-the purpose of machine learning, Recursion is
minimizing data noise to be able to ensure comparability of data.
The technology is based on the principle of inducing the disease states and screening of various cell types together with healthy cells using
fluorescent microscopy. By applying different substances, it’s possible to detect signals of potential drug-like molecules which return diseased cells to
a healthy state, as well as potential side-effects.
Recursion’s software engineers, screening technicians and data scientists work closely to create a platform which allow to decrease the costs of drug
discovery process. Recursion is trying to automatizate as much part of workflow as possible.
Owkin AI models
Owkin created a catalog of 30 live diseases models and has 40 additional models in the pipeline.These models differ from traditional black box
models because they are built using interpreted AI, which allows the company to move further in research and identify biomarkers responsible for
predictions. The discovery of new multimodal biomarkers is essential to identify new biological targets, optimize the design of clinical trials using
patients subgroups, and identify patients eligible for a particular treatments.
Ophthalmologic
Disease
Genetic Medicines. Deep Genomics’ AI Workbench enables them to efficiently find drugs with desired properties. The company is
focussing on the development and marketing of antisense oligonucleotide therapies that target the disrupted genes that cause
diseases at the level of RNA or DNA. Deep Genomics is predicting altered molecular phenotypes, such as transcription, splicing,
translation and protein binding that may caused genetic diseases.
The Deep Genomics platform is able to produce On-target and genome-wide off-target effect data, cell viability data and animal
toxicity data for every compound. They also collect data related to biomarkers. All data is processed using feedback loops.
The Deep Genomics’ research works have appeared in Science, Nature, Nature Genetics, Nature Medicine, Nature Methods,
Proceedings of the IEEE, NIPS, Bioinformatics, RECOMB and ISMB.
In Project Saturn, the Deep Genomics’ team was using their platform to evaluate over 69 billion oligonucleotide molecules against 1 million targets in
silico, to generate a library of 1000 compounds that were experimentally verified to manipulate cell biology as had intended.
- Lymphangioleiomyomatosis;
- B-cell non-Hodgkin lymphoma;
- acute myeloid leukemia;
- amyotrophic lateral sclerosis;
- facial angiofibroma;
- COVID-19
DEEP
PHARMA
INTELLIGENCE
Biggest Investment Deals of Q4 2019 — 2020
SEP ― Chinese tech giant Baidu plots an AI-baked drug discovery startup, looking for investors to collectively infuse $2B in. The start-up is
planned to be a standalone company, but not Baidu’s subsidiary. Baidu has previously invested in other AI startups — Atomwise, Insilico,
and Polaris Biology.
― XtalPi, a Chinese pharmaceutical tech company, has raised $319M in funding round C, which was led by SoftBank Vision Fund 2, PICC
Capital, and Chinese firm MorningSide Venture Capital. The funding will be used for the further development of XtalPi’s Intelligent Digital
Drug Discovery and Development (ID4) platform, which combines artificial intelligence, quantum mechanics, and high-performance cloud
computing algorithms to predict activities of small molecule drug candidates, solid-form selection, and other critical aspects of drug
development.
― Recursion Pharmaceuticals raises $239M in series D funding round. This includes $50 million from Bayer’s investment arm Leaps and
funds from Casdin Capital, Baillie Gifford, and others. Recursion has also entered in drug discovery collaboration with Bayer to develop
new treatments against fibrotic diseases of different organs. Recursion will receive $30M of upfront payment and could potentially receive
$100M milestones for each discovery program and royalties on future sales.
― The MELODY (Machine Learning Ledger Orchestration for Drug Discovery) project initiated by 10 major pharmaceutical companies
achieved its first goal — the deploying of a drug discovery platform. Together with Nvidia and Owkin, these companies are building the
federated learning solution where AI can be trained on desperate datasets from different sites without the need to collect data together.
374. Morgan Noble 394. Nir Kalkstein 414. Palisades Growth Capital
375. MPM Capital 395. NJF Capital 415. Panache Ventures
376. MRL Ventures Fund 396. Nordic Impact 416. Parinvest
377. Mubadala Capital Ventures US 397. Normandie Participations 417. Partner Fund Management
378. Mubadala Investment Company 398. Northleaf Capital Partners 418. Pavilion Capital
379. National Institutes of Health 399. Northpond Ventures 419. Paxion Capital Partners
380. NDRC 400. Northstar Ventures 420. Pear VC
381. Neoteny 401. Novaquest Capital Management 421. Pentech Ventures
382. Nest.Bio Ventures 402. Novartis 422. Perceptive Advisors
383. Nesta Ventures 403. Novartis Venture Fund 423. Perivoli Innovations
384. New Enterprise Associates 404. NPIF Maven Equity Finance 424. Pfizer
385. New Leaf Venture Partners 405. NVIDIA 425. Pfizer Venture Investments
386. New Wave Ventures 406. Oak HC/FT 426. Pi Campus
387. New York Presbyterian Ventures 407. Obvious Ventures 427. Pillar Companies
388. New York State 408. OrbiMed 428. Pinnacle Ventures
389. New York State of Opportunity 409. Origin Capital 429. Pioneer Fund
390. NewDo Venture 410. OS Fund 430. PivotNorth Capital
391. Nex Cubed 411. Oseo 431. Plug and Play
392. Nextech Invest 412. OUP (Osage University Partners) 432. Polaris Partners
393. Nikon 413. Overkill Ventures 433. PP Capital
Deep Pharma Intelligence is producing regular analytical reports on major areas of high-potential in the pharmaceutical and healthcare industries,
maintaining ratings of companies and governments based on their innovation potential and business activity in the BioTech space, and providing
strategic consulting and investment intelligence services to top-tier clients, including major investment funds and banks, family offices, insurance
companies, government organizations, and big pharma companies among others. The company is a joint venture between the two highly specialized
UK-based market intelligence hubs in Pharma / BioTech space:
Pharma Division of Deep Knowledge Analytics (PD-DKA), a specialized BPT Analytics (BiopharmaTrend) - a rapidly growing analytical portal and
subsidiary of Deep Knowledge Analytics (DKA), the leading analytical media resource, dedicated to tracking emerging companies
entity specifically focused on deep intelligence of the high-potential areas (startups/scaleups), innovations, investments, and trends in the pharma
in the pharma industry, including artificial intelligence (AI) for drug and biotech space.
discovery sector.
BiopharmaTrend’s reports and articles were referenced by Deloitte,
Deep Knowledge Analytics Pharma Division serves as the main source of Forbes, and other high profile media and consulting companies.
investment intelligence and analytics for AI-Pharma, a specialized index
BiopharmaTrend is a media partner to a number of top-tier conferences
hedge fund for the AI in the drug discovery sector. PD-DKA’s insights are
and symposia in preclinical and clinical research, and healthcare research.
frequently covered by top media such as Forbes and the Financial Times,
and are acknowledged by top pharma executives.
Recently, MIT named this division a top technology think-tank,
acknowledging the AI ranking framework it developed.
Services:
Deep Pharma Intelligence (DPI) is a strategic partner to the
● Investment landscape profiling, identifying investment ideas in
leading Life Science organizations, investment institutions
the biotech/healthcare tech space.
(VC funds, investment banks), and governments across the
globe -- in matters related to investments, strategic ● Preliminary due-diligence (business, science and technology,
positioning, and policy development in the areas of intellectual property (IP) profiling, freedom of operation
pharmaceutical and biotech research, and healthcare tech. assessment, legal assessment etc).
While Deep Pharma Intelligence is regularly producing ● Comprehensive due-diligence (deep business, science and
open industry reports covering high-growth sectors in the technology assessment, IP and legal assessment, growth
Life Sciences, including artificial intelligence (AI), digital potential assessment etc).
health, and new therapies, some of the more in-depth
● Infringement analysis of technology (i.g. If you plan to partner or
research is only available to our clients and strategic
invest in a data-analytics biotechs, or AI-development vendors, it
partners under the “Proprietary Analytics” category.
is essential to understand their technological assets, both in
Our range of proprietary services includes custom terms of innovation potential and in terms of legal protection
consulting projects, based on the specific customer needs, and non-infringement risk management).
as well as a collection of pre-produced “ready-to-use”
● SWOT analysis of companies and technological sectors,
proprietary reports, produced by our research team,
competitive profiling.
covering general trends and specific action ideas and
strategy insights related to the most promising investment ● Industry profiling and growth strategy development for top-tier
prospects (e.g. new technologies, biotech startups), M&A companies and governments.
prospects (e.g. pipeline development targets), and
strategic growth ideas (trends profiling, industry overviews
etc).
3D Visualisation Prototypes
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