HyFactor: A Novel Open-Source, Graph-Based Architecture for Chemical Structure Generation. - Tagir Akhmetshin; Arkadii I. Lin; Daniyar Mazitov; Yuliana Zabolotna; Evgenii Ziaikin; Timur I. Madzhidov; Alexandre Varnek (J. Chem. Inf. Model., 2022)

Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder. - William Bort; Daniyar Mazitov; Dragos Horvath; Fanny Bonachéra; Arkadii I. Lin; Gilles Marcou; Igor I. Baskin; Timur I. Madzhidov; Alexandre Varnek (J. Chem. Inf. Model., 2022)