Atomwise
AI superplatform that discovers novel drug-like molecules across the vast universe of chemical space
Enterprise·Technical·Powered by Proprietary ML models
Key strengths
AI-driven small-molecule drug discoveryExploration of vast chemical space for novel moleculesFocus on immune and inflammatory disease programsDeep expertise in structure-based drug designProprietary ML superplatform combining multiple predictive models
Enterprise pricing
San Francisco, USA
Founded 2012
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- Virtual high-throughput screening (vHTS) of billions of compounds against a defined protein binding pocket to identify novel hit scaffolds
- Structure-based drug design leveraging 3D atomic-level representations of target proteins for binding affinity prediction
- Hit-to-lead optimization using iterative ML-guided SAR analysis to improve potency, selectivity, and ADMET properties
- Target tractability assessment to evaluate whether a protein target is druggable using AI before committing wet-lab resources
- Scaffold hopping to discover structurally distinct molecules with similar binding profiles, bypassing IP constraints
- Multi-parameter optimization balancing on-target activity, selectivity, solubility, and metabolic stability simultaneously via ML models