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| 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 |
| Matched molecular pair analysis on large melting point datasets: a big data perspective M Withnall, H Chen, IV Tetko ChemMedChem 13 (6), 599-606, 2018 | 15 | 2018 |
| Robust All-Electron Optimization in Orbital-Free Density-Functional Theory Using the Trust-Region Image Method MS Ryley, M Withnall, TJP Irons, T Helgaker, AM Teale The Journal of Physical Chemistry A 125 (1), 459-475, 2020 | 12 | 2020 |
| Empirical and Physics-Based Calculations of Physical-Chemical Properties EL Ratkova, YA Abramov, II Baskin, DJ Livingstone, MV Fedorov, ... Comprehensive Medicinal Chemistry III, 393-428, 2017 | 5 | 2017 |
