| Comparative study of multitask toxicity modeling on a broad chemical space S Sosnin, D Karlov, IV Tetko, MV Fedorov Journal of chemical information and modeling 59 (3), 1062-1072, 2018 | 86 | 2018 |
| CATMoS: collaborative acute toxicity modeling suite K Mansouri, AL Karmaus, J Fitzpatrick, G Patlewicz, P Pradeep, D Alberga, ... Environmental health perspectives 129 (4), 047013, 2021 | 84 | 2021 |
| A survey of multi‐task learning methods in chemoinformatics S Sosnin, M Vashurina, M Withnall, P Karpov, M Fedorov, IV Tetko Molecular informatics 38 (4), 1800108, 2019 | 75 | 2019 |
| graphDelta: MPNN scoring function for the affinity prediction of protein–ligand complexes DS Karlov, S Sosnin, MV Fedorov, P Popov ACS omega 5 (10), 5150-5159, 2020 | 72 | 2020 |
| Chemical space exploration guided by deep neural networks DS Karlov, S Sosnin, IV Tetko, MV Fedorov RSC advances 9 (9), 5151-5157, 2019 | 45 | 2019 |
| Real-time detection of hogweed: UAV platform empowered by deep learning A Menshchikov, D Shadrin, V Prutyanov, D Lopatkin, S Sosnin, ... IEEE Transactions on Computers 70 (8), 1175-1188, 2021 | 39 | 2021 |
| Machine learning to predict retention time of small molecules in nano-HPLC S Osipenko, I Bashkirova, S Sosnin, O Kovaleva, M Fedorov, E Nikolaev, ... Analytical and Bioanalytical Chemistry 412, 7767-7776, 2020 | 31 | 2020 |
| Image2SMILES: Transformer‐based molecular optical recognition engine I Khokhlov, L Krasnov, MV Fedorov, S Sosnin Chemistry‐Methods 2 (1), e202100069, 2022 | 28 | 2022 |
| Transformer-based artificial neural networks for the conversion between chemical notations L Krasnov, I Khokhlov, MV Fedorov, S Sosnin Scientific Reports 11 (1), 14798, 2021 | 26* | 2021 |
| Recommender systems in antiviral drug discovery EA Sosnina, S Sosnin, AA Nikitina, I Nazarov, DI Osolodkin, MV Fedorov ACS omega 5 (25), 15039-15051, 2020 | 23 | 2020 |
| Hydrogen/Deuterium Exchange Aiding Compound Identification for LC-MS and MALDI Imaging Lipidomics Y Kostyukevich, G Vladimirov, E Stekolschikova, D Ivanov, A Yablokov, ... Analytical chemistry 91 (21), 13465-13474, 2019 | 21 | 2019 |
| Exploring chemical reaction space with reaction difference fingerprints and parametric t-SNE M Andronov, MV Fedorov, S Sosnin ACS omega 6 (45), 30743-30751, 2021 | 20 | 2021 |
| 3D matters! 3D-RISM and 3D convolutional neural network for accurate bioaccumulation prediction S Sosnin, M Misin, DS Palmer, MV Fedorov Journal of Physics: Condensed Matter 30 (32), 32LT03, 2018 | 20 | 2018 |
| System for prediction of pharmacokinetic properties and toxicity of drug compounds EV Radchenko, PV Karpov, SB Sosnin XX Mendeleev Congress on general and applied chemistry 4, 424, 2016 | 6 | 2016 |
| Identifying differences in the performance of machine learning models for off-targets trained on publicly available and proprietary data sets A Smajić, I Rami, S Sosnin, GF Ecker Chemical Research in Toxicology 36 (8), 1300-1312, 2023 | 5 | 2023 |
| Improvement of multi-task learning by data enrichment: application for drug discovery EA Sosnina, S Sosnin, MV Fedorov Journal of Computer-Aided Molecular Design 37 (4), 183-200, 2023 | 5 | 2023 |
| PyFragMS─ A Web Tool for the Investigation of the Collision-Induced Fragmentation Pathways Y Kostyukevich, S Sosnin, S Osipenko, O Kovaleva, L Rumiantseva, ... ACS omega 7 (11), 9710-9719, 2022 | 5 | 2022 |
| Influence of descriptor implementation on compound ranking based on multiparameter assessment EA Sosnina, DI Osolodkin, EV Radchenko, S Sosnin, VA Palyulin Journal of Chemical Information and Modeling 58 (5), 1083-1093, 2018 | 5 | 2018 |
| BigSolDB: Solubility Dataset of Compounds in Organic Solvents and Water in a Wide Range of Temperatures L Krasnov, S Mikhaylov, M Fedorov, S Sosnin | 1 | 2023 |
| Message passing neural networks scoring functions for structure-based drug discovery DS Karlov, P Popov, S Sosnin, MV Fedorov Lecture Notes in Computer Science (см. в книгах) 11731, 845-847, 2019 | 1 | 2019 |
Igor V. TetkoBIGCHEM GmbH & Helmholtz MunichVerified email at helmholtz-munich.de
