QSPR approach to predict nonadditive properties of mixtures. Application to bubble point temperatures of binary mixtures of liquids I Oprisiu, E Varlamova, E Muratov, A Artemenko, G Marcou, P Polishchuk, ... Molecular Informatics 31 (6‐7), 491-502, 2012 | 70 | 2012 |
Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM) I Oprisiu, S Novotarskyi, IV Tetko Journal of cheminformatics 5, 1-7, 2013 | 50 | 2013 |
Findings of the second challenge to predict aqueous solubility A Llinas, I Oprisiu, A Avdeef Journal of chemical information and modeling 60 (10), 4791-4803, 2020 | 47 | 2020 |
Quantitative structure–property relationship (QSPR) modeling of normal boiling point temperature and composition of binary azeotropes VP Solov’ev, I Oprisiu, G Marcou, A Varnek Industrial & engineering chemistry research 50 (24), 14162-14167, 2011 | 35 | 2011 |
Prediction of in vivo pharmacokinetic parameters and time–exposure curves in rats using machine learning from the chemical structure O Obrezanova, A Martinsson, T Whitehead, S Mahmoud, A Bender, ... Molecular pharmaceutics 19 (5), 1488-1504, 2022 | 28 | 2022 |
In silico ADME in drug design–enhancing the impact S Winiwarter, E Ahlberg, E Watson, I Oprisiu, M Mogemark, T Noeske, ... ADMET and DMPK 6 (1), 15-33, 2018 | 14 | 2018 |
Publicly available models to predict normal boiling point of organic compounds I Oprisiu, G Marcou, D Horvath, DB Brunel, F Rivollet, A Varnek Thermochimica acta 553, 60-67, 2013 | 12 | 2013 |
In silico ADME modeling I Oprisiu, S Winiwarter Academic Press, 2021 | 8 | 2021 |
Modélisation QSPR de mélanges binaires non-additifs: application au comportement azéotropique I Oprisiu Université de Strasbourg, 2012 | 4 | 2012 |
Use of in silico models for compound property prediction to reduce the in vitro screening burden E Ahlberg, C Bendtsen, L Carlsson, L Fredlund, B Jones, T Noeske, ... Toxicology Letters 280, S285, 2017 | 1 | 2017 |