Best Drug Discovery Software

Alchemite provides AI-augmented physical modeling and solutions that help organizations extract actionable insights from experimental and simulation data by combining machine learning with physics-informed models to improve prediction accuracy, reduce experimental costs, and optimize product and process development. Its solutions span materials discovery and design, predictive modelling of performance and reliability, multiscale modelling that connects atomistic to macroscopic behaviour, and automation of workflow tasks such as data integration, surrogate modelling, and model validation. It supports physics-aware neural networks and hybrid modelling approaches that respect underlying scientific laws while learning from data to enable faster and more accurate simulations, reduced reliance on expensive physical testing, and improved decision-making. Intellegens’ tools are applied in areas such as battery performance prediction, chemical process optimization, etc.

InSilicoTrials.com is a web-based platform, which provides a user-friendly computational modeling and simulation environment where many integrated easy-to-use in silico tools are readily available. The platform targets primarily users from the medical devices and pharmaceutical sectors. The in silico tools available for medical devices enable computational testing in different biomedical areas like radiology, orthopedics and cardiovascular during product design, development and validation processes. For the pharmaceutical sector, the platform provides access to in silico tools developed at all stages of the drug discovery and development processes and for many different therapeutic areas. We have built the only cloud-platform based on the crowdscience concept that makes it easy to use validated models and cut your R&D costs now. A growing catalogue of models ready to be used, on a pay per use basis.

Harness the power of biomedical data with Polly. The Polly Platform helps to scale batch jobs, workflows, coding environments and visualization applications. Polly allows resource pooling and provides optimal resource allocation based on your usage requirements and makes use of spot instances whenever possible. All this leads to optimization, efficiency, faster response time and lower costs for the resources. Get access to a dashboard to monitor resource usage and cost real time and minimize overhead of resource management by your IT team. Version control is integral to Polly’s infrastructure. Polly ensures version control for your workflows and analyses through a combination of dockers and interactive notebooks. We have built a mechanism that allows the data, code and the environment co-exist. This coupled with data storage on the cloud and the ability to share projects ensures reproducibility of every analysis you perform.

Dotmatics is the global leader in R&D scientific software that connects science, data, and decision-making. Combining a workflow and data platform with best-of-breed applications, we offer the first true end-to-end solutions for biology, chemistry, formulations, data management, flow cytometry, and more. Trusted by more than 2 million researchers from the world’s leading biopharma, chemicals and materials enterprises, and academic institutions, we are dedicated to working with the scientific community to help make the world a healthier, cleaner and safer place to live. Learn more about our platform and products, including GraphPad Prism, Geneious, SnapGene, Protein Metrics, LabArchives, and more.

BC platforms leverages latest science, unique technology capabilities, and strategic partnerships to achieve our mission of revolutionizing drug discovery and personalizing care. Modular, highly configurable platform for integrated healthcare data. Open analytics framework seamlessly combining latest innovative methods, analytics and technology developments in one single platform. Superior security: ISO 27001 certified, GDPR and HIPAA compliance. Complete product portfolio enabling a modern healthcare system to fully embrace personalized medicine. Scalable deployments enabling a robust start as well as large scale healthcare operation. Accelerated translation of research insights into clinical practice with our unique end to end toolbox. We help reduce your risk, enhance your pipeline value and advance your enterprise data strategy by solving the barriers of data access and enabling rapid insight generation.

Recursion is a TechBio company focused on transforming drug discovery by combining biology, data, and artificial intelligence. Founded over a decade ago, the company pioneered the use of large-scale cellular imaging to train AI models that decode the biological drivers of disease. Recursion’s mission is to deliver better medicines through novel insights and precision design, reducing the high failure rates of traditional drug development. Its proprietary Recursion OS platform integrates massive biological datasets with machine learning to accelerate discovery from target identification to clinical development. The company has built an advanced pipeline of potential first-in-class and best-in-class therapies targeting aggressive cancers and rare diseases. Automated wet labs and robotics enable millions of experiments per week, feeding continuous learning into its AI models.

Eidogen-Sertanty's Target Informatics Platform (TIP) is the world's first structural informatics system and knowledgebase that enables researchers with the ability to interrogate the druggable genome from a structural perspective. TIP amplifies the rapidly expanding body of experimental protein structure information and transforms structure-based drug discovery from a low-throughput, data-scarce discipline into a high-throughput, data-rich science. Designed to help bridge the knowledge gap between bioinformatics and cheminformatics, TIP supplies drug discovery researchers with a knowledge base of information that is both distinct from and highly complementary to information furnished by existing bio- and cheminformatics platforms. TIP's seamless integration of structural data management technology with unique target-to-lead calculation and analysis capabilities enhances all stages of the discovery pipeline.

With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modeling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the discovery process. Successful compounds require a balance of many different properties. StarDrop™ guides you through this multi-parameter optimization challenge to target compounds with the best chance of success, saving you time and resources by enabling you to synthesize and test fewer compounds.

Pharma companies need comprehensive genomic information to drive successful precision medicine programs, but decisions are often made using only a fraction of the data available, about 10%. Genomenon delivers 100% of the data. An efficient and cost-effective natural history research solution for pharma, ProdigyTM Patient Landscapes support the development of rare disease therapies by enhancing insights contained in retrospective and prospective health data. Using a powerful AI-driven approach, Genomenon delivers a comprehensive and expert assessment of every patient in the published medical literature, in a fraction of the time. Don’t miss anything, get insight into every genomic biomarker published in the medical literature. Every scientific assertion is supported by empirical evidence from the medical literature. Identify all genetic drivers and pinpoint which variants are known to be pathogenic according to ACMG clinical standards.

Clara’s domain-specific tools, AI pre-trained models, and accelerated applications are enabling AI breakthroughs in numerous fields, including medical devices, imaging, drug discovery, and genomics. Explore the end-to-end pipeline of medical device development and deployment with the Holoscan platform. Build containerized AI apps with the Holoscan SDK and MONAI, and streamline deployment in next-generation AI devices with the NVIDIA IGX developer kits. The NVIDIA Holoscan SDK includes healthcare-specific acceleration libraries, pre-trained AI models, and reference applications for computational medical devices.

At Metabolon, we offer the largest Level 1 library in the metabolomics industry. Our proprietary library has been built and curated over 20 years and contains over 5,400 entries. The vast majority of entries in our library are Level 1 attributing approximately 85% (~4,600 entries); however, some are Level 2 (approximately 15% accounting for around 800 entries) due to a lack of commercial standards available to qualify for Level 1. Metabolon delivers accurate, highly actionable insights for our clients’ scientific or clinical inquiries due to our unmatched library breadth and industry-leading annotation confidence levels. Metabolomics applies to a wide range of research, from soil health to food nutrition and preclinical research to clinical trials. Whether you’re searching for trends in a group or refining an individual’s treatment, metabolomics can help you find answers to important questions.

DNAnexus Apollo™ accelerates precision drug discovery by unlocking the power of collaboration to draw critical insights from omics data. Precision drug discovery requires collecting and analyzing huge volumes of omics and clinical data. These datasets are incredibly rich resources, but most legacy and home-grown informatics tools can't cope with their size and complexity. Precision medicine programs can also be hampered by siloed data sources, underpowered collaboration tools, and the burden of complex and always changing regulatory and security requirements. DNAnexus Apollo™ supports precision drug discovery programs by empowering scientists and clinicians to explore and analyze omics and clinical data together, in a single environment, built on a robust, scalable cloud platform. Apollo lets them share data, tools, and analyses easily and securely with peers and collaborators everywhere - whether they're on another floor, or another continent.

Kanteron Platform ingested medical images, digital pathology slides, genomics sequences, and patient data from modalities, scanners, sequencers and databases, and provided a complete data toolkit to every team in hospital networks. Pharmacogenomics for adverse medication event prevention, and Precision Medicine application at the point of care: Incorporates sources of drug-gene interaction data that were previously only available in in accessible formats (e.g. tables in a PDF document), implementing the major Pharmacogenomic databases (like PharmGKB, CGI, DGIdb, OpenTargets...) Allows the user to refine their query to certain gene families, types of interactions, classes of drugs, etc. Flexible AI means you can choose the data set that best fits your use case, and apply it to your relevant medical images.

Transform drug discovery and materials research with advanced molecular modeling. Our physics-based computational platform integrates differentiated solutions for predictive modeling, data analytics, and collaboration to enable rapid exploration of chemical space. Our platform is deployed by industry leaders worldwide for drug discovery, as well as for materials science in fields as diverse as aerospace, energy, semiconductors, and electronics displays. The platform powers our own drug discovery efforts, from target identification to hit discovery to lead optimization. It also drives our research collaborations to develop novel medicines for critical public health needs. With more than 150 Ph.D. scientists on our team, we invest heavily in R&D. We’ve published over 400 peer-reviewed papers that demonstrate the strength of our physics-based approaches, and we’re continually pushing the limits of computer modeling.

Scitara DLX™ offers a rapid connectivity infrastructure for any instrument in the life science laboratory in a fully compliant and auditable cloud-based platform. Scitara DLX™ is a universal digital data infrastructure that connects any instrument, resource, app and software in the laboratory. The cloud-based, fully auditable platform connects all data sources across the lab, allowing the free flow of data across multiple end points. This allows scientists to devote their time to scientific research, not waste it solving data issues. DLX curates and corrects data in flight to support the development of accurate, properly structured data models that feed AI and ML systems. This supports a successful digital transformation strategy in the pharma and biopharma industries. Unlocking insights from scientific data enables faster decision-making in drug discovery and development, helping bring drugs to market more quickly.