| Deep reinforcement learning for de novo drug design M Popova, O Isayev, A Tropsha Science advances 4 (7), eaap7885, 2018 | 1207 | 2018 |
| Nemo: a toolkit for building ai applications using neural modules O Kuchaiev, J Li, H Nguyen, O Hrinchuk, R Leary, B Ginsburg, S Kriman, ... arXiv preprint arXiv:1909.09577, 2019 | 268 | 2019 |
| MolecularRNN: Generating realistic molecular graphs with optimized properties M Popova, M Shvets, J Oliva, O Isayev arXiv preprint arXiv:1905.13372, 2019 | 167 | 2019 |
| Correction of automatic speech recognition with transformer sequence-to-sequence model O Hrinchuk, M Popova, B Ginsburg Icassp 2020-2020 ieee international conference on acoustics, speech and …, 2020 | 94 | 2020 |
| OpenChem: a deep learning toolkit for computational chemistry and drug design M Korshunova, B Ginsburg, A Tropsha, O Isayev Journal of Chemical Information and Modeling 61 (1), 7-13, 2021 | 75 | 2021 |
| Crowdsourced mapping of unexplored target space of kinase inhibitors A Cichońska, B Ravikumar, RJ Allaway, F Wan, S Park, O Isayev, S Li, ... Nature communications 12 (1), 3307, 2021 | 69 | 2021 |
| Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds M Korshunova, N Huang, S Capuzzi, DS Radchenko, O Savych, ... Communications Chemistry 5 (1), 129, 2022 | 47* | 2022 |
| ProT-VAE: protein transformer variational autoencoder for functional protein design E Sevgen, J Moller, A Lange, J Parker, S Quigley, J Mayer, P Srivastava, ... bioRxiv, 2023.01. 23.525232, 2023 | 15 | 2023 |
| Building superposition of deep learning neural networks for solving the problem of time series classification MS Popova, V Strijov Sistemy i Sredstva Informatiki [Systems and Means of Informatics] 25 (3), 60-77, 2015 | 3 | 2015 |
| Metric time series classification using dynamic warping relative to centroids of classes AV Goncharov, MS Popova, V Strijov Sistemy i Sredstva Informatiki [Systems and Means of Informatics] 25 (4), 52-64, 2015 | 3 | 2015 |
| De novo design of new chemical entities with AI methods M Korshunova Carnegie Mellon University, 2022 | | 2022 |
| Content Types DO Renz, D Van Rompaey, JK Wegner, S Hochreiter, G Klambauer, ... | | |
| CMU-CB-22-101 De novo design of new chemical entities with AI methods M Korshunova | | |
