Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM) von Oprisiu, Ioana, Novotarskyi, Sergii, Tetko, Igor V

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Findings of the Second Challenge to Predict Aqueous Solubility von Llinas, Antonio, Oprisiu, Ioana, Avdeef, Alex

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Quantitative Structure–Property Relationship (QSPR) Modeling of Normal Boiling Point Temperature and Composition of Binary Azeotropes von Solov’ev, Vitaly P, Oprisiu, Ioana, Marcou, Gilles, Varnek, Alexandre

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Prediction of In Vivo Pharmacokinetic Parameters and Time–Exposure Curves in Rats Using Machine Learning from the Chemical Structure von Obrezanova, Olga, Martinsson, Anton, Whitehead, Tom, Mahmoud, Samar, Bender, Andreas, Miljković, Filip, Grabowski, Piotr, Irwin, Ben, Oprisiu, Ioana, Conduit, Gareth, Segall, Matthew, Smith, Graham F, Williamson, Beth, Winiwarter, Susanne, Greene, Nigel

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Use of in silico models for compound property prediction to reduce the in vitro screening burden von Ahlberg, Ernst, Bendtsen, Claus, Carlsson, Lars, Fredlund, Linda, Jones, Barry, Noeske, Tobias, Oprisiu, Ioana, Strömstedt, Per-Erik, Wernevik, Johan, Winiwarter, Susanne

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In silico ADME in drug design – enhancing the impact von Winiwarter, Susanne, Ahlberg, Ernst, Watson, Edmund, Oprisiu, Ioana, Mogemark, Mickael, Noeske, Tobias, Greene, Nigel

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Publicly available models to predict normal boiling point of organic compounds von Oprisiu, Ioana, Marcou, Gilles, Horvath, Dragos, Brunel, Damien Bernard, Rivollet, Fabien, Varnek, Alexandre

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Modélisation QSPR de mélanges binaires non-additifs : application au comportement azéotropique von Oprisiu, Ioana

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Prediction of In Vivo Pharmacokinetic Parameters and Time-Exposure Curves in Rats Using Machine Learning from the Chemical Structure von Obrezanova, Olga, Martinsson, Anton, Whitehead, Tom, Mahmoud, Samar, Bender, Andreas, Miljković, Filip, Grabowski, Piotr, Irwin, Ben, Oprisiu, Ioana, Conduit, Gareth, Segall, Matthew, Smith, Graham F, Williamson, Beth, Winiwarter, Susanne, Greene, Nigel

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