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Toxtree is a flexible and user-friendly open-source application that places chemicals into categories and predicts various kinds of toxic effect by applying decision tree approaches.
Toxmatch is a flexible and user-friendly open-source software application that encodes several chemical similarity indices to facilitate the grouping of chemicals into categories and read-across.
Open QSAR is a web based platform for building, viewing and managing huge QSAR model libraries.
SCORE is an empirical method for estimating the binding affinity of a protein-ligand complex with known 3D structure.
Automatically detects descriptor classes defined in the CDK QSAR descriptor dictionary,...