Schrödinger

DigitalClone® for Engineering is the world's only gearbox reliability prediction solution integrating multiple scales of analysis in a single software package. In addition to modeling and analysis capabilities at the gearbox and gear/bearing levels, DC-E is the only solution available that models fatigue life based on detailed, physics-based models of the material microstructure (US Patent 10474772B2). DC-E enables construction of a gearbox digital twin with high value across all stages of the lifecycle of the physical asset - from design and manufacturing optimization to component supplier selection to failure root cause analysis to condition-based maintenance and to prognostics. This computational environment drives down the time and cost to bring new designs to the market and to sustain them over time.

alvaModel is a software tool for building, validating, comparing, and applying QSAR and QSPR models. It supports regression and classification workflows based on molecular descriptors and fingerprints, with a strong focus on model transparency, interpretability, and scientific robustness. The software includes multiple data splitting strategies, variable selection methods, modeling algorithms, and comprehensive internal and external validation procedures. alvaModel provides diagnostic plots, applicability domain analysis, and model comparison tools to support the identification of reliable and predictive models. Designed according to best practices in chemometrics, alvaModel facilitates the development of interpretable models consistent with the OECD principles for QSAR validation, making it suitable for research and regulatory-oriented applications. The graphical interface guides users through the entire modeling workflow while allowing full control over each modeling step.