Atomwise
AI superplatform that explores chemical space to discover novel, drug-like molecules
Enterprise·Technical·Powered by Proprietary ML (AtomNet)
Key strengths
AI-driven small-molecule drug discoveryExploration of vast chemical space beyond traditional screeningFocus on first- and best-in-class immune/inflammatory disease programsProprietary deep learning models for molecular binding predictionIntegrated superplatform combining ML with medicinal chemistry
Enterprise pricing
San Francisco, USA
Founded 2012
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- Structure-based virtual screening against a target protein using 3D deep learning models to rank billions of compounds by predicted binding affinity
- De novo molecular generation for designing novel scaffolds with desired pharmacophoric and ADMET properties using generative ML
- Multi-parameter optimization of lead compounds balancing potency, selectivity, solubility, and metabolic stability via ML-guided design-make-test cycles
- Polypharmacology profiling to predict off-target binding risks across a panel of related protein structures
- Hit-to-lead expansion by computationally exploring analogue space around confirmed hits to propose the highest-value synthesis priorities
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