| Глубокое обучение С Николенко, А Кадурин, Е Архангельская " Издательский дом"" Питер""", 2017 | 1377* | 2017 |
| Molecular sets (MOSES): a benchmarking platform for molecular generation models D Polykovskiy, A Zhebrak, B Sanchez-Lengeling, S Golovanov, O Tatanov, ... Frontiers in pharmacology 11, 565644, 2020 | 622* | 2020 |
| druGAN: an advanced generative adversarial autoencoder model for de novo generation of new molecules with desired molecular properties in silico A Kadurin, S Nikolenko, K Khrabrov, A Aliper, A Zhavoronkov Molecular pharmaceutics 14 (9), 3098-3104, 2017 | 536 | 2017 |
| The cornucopia of meaningful leads: Applying deep adversarial autoencoders for new molecule development in oncology A Kadurin, A Aliper, A Kazennov, P Mamoshina, Q Vanhaelen, ... Oncotarget 8 (7), 10883, 2016 | 388 | 2016 |
| Entangled conditional adversarial autoencoder for de novo drug discovery D Polykovskiy, A Zhebrak, D Vetrov, Y Ivanenkov, V Aladinskiy, ... Molecular pharmaceutics 15 (10), 4398-4405, 2018 | 254 | 2018 |
| 3D molecular representations based on the wave transform for convolutional neural networks D Kuzminykh, D Polykovskiy, A Kadurin, A Zhebrak, I Baskov, S Nikolenko, ... Molecular pharmaceutics 15 (10), 4378-4385, 2018 | 120 | 2018 |
| 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 | 37 | 2020 |
| Fair evaluation in concept normalization: a large-scale comparative analysis for BERT-based models E Tutubalina, A Kadurin, Z Miftahutdinov Proceedings of the 28th International conference on computational …, 2020 | 30 | 2020 |
| Medical concept normalization in clinical trials with drug and disease representation learning Z Miftahutdinov, A Kadurin, R Kudrin, E Tutubalina Bioinformatics 37 (21), 3856-3864, 2021 | 27 | 2021 |
| nabladft: Large-scale conformational energy and hamiltonian prediction benchmark and dataset K Khrabrov, I Shenbin, A Ryabov, A Tsypin, A Telepov, A Alekseev, ... Physical Chemistry Chemical Physics 24 (42), 25853-25863, 2022 | 19 | 2022 |
| Drug and disease interpretation learning with biomedical entity representation transformer Z Miftahutdinov, A Kadurin, R Kudrin, E Tutubalina European Conference on Information Retrieval, 451-466, 2021 | 9 | 2021 |
| MineralImage5k: A benchmark for zero-shot raw mineral visual recognition and description S Nesteruk, J Agafonova, I Pavlov, M Gerasimov, N Latyshev, D Dimitrov, ... Computers & Geosciences 178, 105414, 2023 | 8 | 2023 |
| Graph-enriched biomedical entity representation transformer A Sakhovskiy, N Semenova, A Kadurin, E Tutubalina International Conference of the Cross-Language Evaluation Forum for European …, 2023 | 4 | 2023 |
| Automating control of overestimation bias for reinforcement learning A Kuznetsov, A Grishin, A Tsypin, A Ashukha, A Kadurin, D Vetrov arXiv preprint arXiv:2110.13523, 2021 | 2 | 2021 |
| Biomedical Entity Representation with Graph-Augmented Multi-Objective Transformer A Sakhovskiy, N Semenova, A Kadurin, E Tutubalina Findings of the Association for Computational Linguistics: NAACL 2024, 4626-4643, 2024 | 1 | 2024 |
| FREED++: Improving RL Agents for Fragment-Based Molecule Generation by Thorough Reproduction A Telepov, A Tsypin, K Khrabrov, S Yakukhnov, P Strashnov, P Zhilyaev, ... arXiv preprint arXiv:2401.09840, 2024 | 1 | 2024 |
| Gradual Optimization Learning for Conformational Energy Minimization A Tsypin, L Ugadiarov, K Khrabrov, M Avetisian, A Telepov, E Rumiantsev, ... arXiv preprint arXiv:2311.06295, 2023 | 1 | 2023 |
| Mutual information adversarial autoencoder A Aliper, A Zavoronkovs, A Zhebrak, A Kadurin, D Polykovskiy, ... US Patent 11,403,521, 2022 | 1 | 2022 |
| Chemical Language Models Have Problems with Chemistry: A Case Study on Molecule Captioning Task V Ganeeva, K Khrabrov, A Kadurin, A Savchenko, E Tutubalina The Second Tiny Papers Track at ICLR 2024, 0 | 1 | |
| Multimodal AI Engine for Clinical Trials Outcome Prediction: Prospective Case Study of Big Pharma for Q2 2020 A Zhavoronkov, R Kudrin, E Tutubalina, A Kuzmina | 1 | |
Sergey NikolenkoSteklov Institute of Mathematics at St. Petersburg, RussiaVerified email at logic.pdmi.ras.ru
