Automatized Assessment of Protective Group Reactivity: A Step Toward Big Reaction Data Analysis. - Arkadii I. Lin; Timur I. Madzhidov; Olga Klimchuk; Ramil I. Nugmanov; Igor S. Antipin; Alexandre Varnek (J. Chem. Inf. Model., 2016)

Multi-task generative topographic mapping in virtual screening. - Arkadii I. Lin; Dragos Horvath; Gilles Marcou; Bernd Beck; Alexandre Varnek (J. Comput. Aided Mol. Des., 2019)

Diversifying chemical libraries with generative topographic mapping. - Arkadii I. Lin; Bernd Beck; Dragos Horvath; Gilles Marcou; Alexandre Varnek (J. Comput. Aided Mol. Des., 2020)

Chemography: Searching for Hidden Treasures. - Yuliana Zabolotna; Arkadii I. Lin; Dragos Horvath; Gilles Marcou; Dmitriy M. Volochnyuk; Alexandre Varnek (J. Chem. Inf. Model., 2021)

HIV-1 drug resistance profiling using amino acid sequence space cartography. - Karina Pikalyova; Alexey Orlov; Arkadii I. Lin; Olga A. Tarasova; Gilles Marcou; Dragos Horvath; Vladimir Poroikov; Alexandre Varnek (Bioinform., 2022)

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)

Chemspace Atlas: Multiscale Chemography of Ultralarge Libraries for Drug Discovery. - Yuliana Zabolotna; Fanny Bonachéra; Dragos Horvath; Arkadii I. Lin; Gilles Marcou; Olga Klimchuk; Alexandre Varnek (J. Chem. Inf. Model., 2022)