Improving Chemical Autoencoder Latent Space and Molecular De Novo Generation Diversity with Heteroencoders EJ Bjerrum, B Sattarov Biomolecules 8 (4), 131, 2018 | 169 | 2018 |
Learning to navigate the synthetically accessible chemical space using reinforcement learning SK Gottipati, B Sattarov, S Niu, Y Pathak, H Wei, S Liu, S Blackburn, ... International conference on machine learning, 3668-3679, 2020 | 147 | 2020 |
De novo molecular design by combining deep autoencoder recurrent neural networks with generative topographic mapping B Sattarov, II Baskin, D Horvath, G Marcou, EJ Bjerrum, A Varnek Journal of chemical information and modeling 59 (3), 1182-1196, 2019 | 147 | 2019 |
From target to drug: generative modeling for the multimodal structure-based ligand design M Skalic, D Sabbadin, B Sattarov, S Sciabola, G De Fabritiis Molecular pharmaceutics 16 (10), 4282-4291, 2019 | 120 | 2019 |
Computationally driven discovery of SARS-CoV-2 M pro inhibitors: from design to experimental validation L El Khoury, Z Jing, A Cuzzolin, A Deplano, D Loco, B Sattarov, F Hédin, ... Chemical science 13 (13), 3674-3687, 2022 | 27 | 2022 |
Towered actor critic for handling multiple action types in reinforcement learning for drug discovery SK Gottipati, Y Pathak, B Sattarov, R Nuttall, M Amini, ME Taylor, ... Proceedings of the AAAI Conference on Artificial Intelligence 35 (1), 142-150, 2021 | 7 | 2021 |
Deep learning insights into lanthanides complexation chemistry AA Mitrofanov, PI Matveev, KV Yakubova, A Korotcov, B Sattarov, ... Molecules 26 (11), 3237, 2021 | 6 | 2021 |
Research data management using FAIR data repository with integrated machine learning V Tkachenko, B Sattarov, A Korotcov, R Zakharov ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |