MolClass V2
High-throughput screening bioactivity prediction. A fully modernized pipeline powered by advanced Machine Learning ensembles.
MolClass molecule of the month
BMS-820132 is an investigational oral partial glucokinase activator developed for type 2 diabetes. Load its structure and explore predicted activity across MolClass models.
Create Models
Configure and queue advanced machine learning models (RandomForest, J48, etc.) against specific datasets.
Structure Search
Search the registry by identifier, InChIKey, or canonical SMILES — or draw a molecule directly. Matches exact structures only.
Predictions
Select a human-approved model, find an indexed molecule, and run a prediction against it.
Dataset Review
Review import outcomes, record counts, selected properties, identifiers, and model eligibility.
Details & Citations
About MolClass, contact information, and academic citations.