Pharma.ai Webinar 2026 Q2 Summer Updates

Design and optimize small molecules with Generative AI and Physics-based methods.

Chemistry42 is a comprehensive small molecules drug discovery platform. It streamlines hit identification, hit-to-lead, and lead optimization programs.

Generative Chemistry

Create novel small molecules with optimized properties using generative AI: de novo design, hit optimization, scaffold hopping and R-groups search.

Retrosynthesis

Predict synthetic routes for uploaded or generated molecular structures. Trained on the unique library of Expert-annotated Reaction templates.

ADMET & Off-target

Comprehensive profiling and optimization of key absorption, distribution, metabolism, and toxicity parameters, as well as evaluation of selectivity profiles.

MDFlow

End-to-end simulation workflows for biomolecules and complexes, from system build and sampling to reproducible reporting and metrics.

Alchemistry

Accurately estimate the relative binding free energy to prioritize molecules with efficient physics-based methods.

Model Training

Train a predictive model to navigate generation and annotate custom datasets.

Golden Cubes

Golden Cubes is a proprietary engine that achieves high accuracy thanks to multi-dimensional Self-Organizing Maps. Predict off-target kinome selectivity.

Contact Us

For inquiries: pharma.ai@insilicomedicine.com.