| Deep learning enables rapid identification of potent DDR1 kinase inhibitors A Zhavoronkov, YA Ivanenkov, A Aliper, MS Veselov, VA Aladinskiy, ... Nature biotechnology 37 (9), 1038-1040, 2019 | 1044 | 2019 |
| MolGrow: A Graph Normalizing Flow for Hierarchical Molecular Generation M Kuznetsov, D Polykovskiy Proceedings of the AAAI Conference on Artificial Intelligence 35 (9), 8226-8234, 2021 | 48 | 2021 |
| Molecular generation for desired transcriptome changes with adversarial autoencoders R Shayakhmetov, M Kuznetsov, A Zhebrak, A Kadurin, S Nikolenko, ... Frontiers in Pharmacology 11, 269, 2020 | 35 | 2020 |
| A prior of a Googol Gaussians: a tensor ring induced prior for generative models M Kuznetsov, D Polykovskiy, DP Vetrov, A Zhebrak Advances in Neural Information Processing Systems, 4102-4112, 2019 | 20 | 2019 |
| nach0: Multimodal natural and chemical languages foundation model M Livne, Z Miftahutdinov, E Tutubalina, M Kuznetsov, D Polykovskiy, ... Chemical Science 15 (22), 8380-8389, 2024 | 12 | 2024 |
| Addendum: Molecular Generation for Desired Transcriptome Changes With Adversarial Autoencoders R Shayakhmetov, M Kuznetsov, A Zhebrak, A Kadurin, S Nikolenko, ... Frontiers in Pharmacology 11, 1236, 2020 | 3 | 2020 |
| Subset-Conditioned Generation Using Variational Autoencoder With A Learnable Tensor-Train Induced Prior M Kuznetsov, D Polykovskiy, D Vetrov, A Zhebrak NeurIPS Workshops 3, 2018 | 3 | 2018 |
| Scaffold-oriented universal line system A Zavoronkovs, D Polykovskiy, M Kuznetsov, A Filimonov US Patent 12,040,057, 2024 | 1 | 2024 |
| BindGPT: A Scalable Framework for 3D Molecular Design via Language Modeling and Reinforcement Learning A Zholus, M Kuznetsov, R Schutski, R Shayakhmetov, D Polykovskiy, ... arXiv preprint arXiv:2406.03686, 2024 | 1 | 2024 |
| Subset conditioning using variational autoencoder with a learnable tensor train induced prior A Aliper, A Zavoronkovs, A Zhebrak, D Polykovskiy, M Kuznetsov, ... US Patent 11,593,660, 2023 | 1 | 2023 |
| Graph normalizing flow for hierarchical molecular generation M Kuznetsov, D Polykovskiy, A Zavoronkovs US Patent App. 17/331,493, 2021 | 1 | 2021 |
| Subset conditioning using variational autoencoder with a learnable tensor train induced prior A Aliper, A Zavoronkovs, A Zhebrak, D Polykovskiy, M Kuznetsov, ... US Patent App. 18/538,870, 2024 | | 2024 |
| COSMIC: Molecular Conformation Space Modeling in Internal Coordinates with an Adversarial Framework M Kuznetsov, F Ryabov, R Schutski, R Shayakhmetov, YC Lin, A Aliper, ... Journal of Chemical Information and Modeling 64 (9), 3610-3620, 2024 | | 2024 |
| Subset conditioning using variational autoencoder with a learnable tensor train induced prior A Aliper, A Zavoronkovs, A Zhebrak, D Polykovskiy, M Kuznetsov, ... US Patent 11,893,498, 2024 | | 2024 |
| ADVERSARIAL FRAMEWORK FOR MOLECULAR CONFORMATION SPACE MODELING IN INTERNAL COORDINATES M Kuznetsov, F Ryabov, D Polykovskiy, A Kadurin, A Zavoronkovs US Patent App. 17/835,167, 2022 | | 2022 |
Daniil PolykovskiySr. Director of Technology, Insilico MedicineVerified email at insilico.com