Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder.
William BortDaniyar MazitovDragos HorvathFanny BonachéraArkadii I. LinGilles MarcouIgor I. BaskinTimur I. MadzhidovAlexandre VarnekPublished in: J. Chem. Inf. Model. (2022)