Public Applications & Models 2

qsar

Conformal regression model for predicting LogD for drug-like molecules, trained on ChEMBL version 33 with over 2.2M compounds using the CPSign software.

  • Owner: Staffan Arvidsson McShane

Predicts Ames Mutagenicity for a chemical structure using an SVM model with Signatures features via the CPSign modeling tool.

  • Owner: Ola Spjuth