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Published in Journal of chemical information and modeling (25.06.2012)
Published in Journal of chemical information and modeling (25.06.2012)
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CERAPP: Collaborative Estrogen Receptor Activity Prediction Project
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Published in Environmental health perspectives (01.07.2016)
Published in Environmental health perspectives (01.07.2016)
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Lin, Arkadii, Beck, Bernd, Horvath, Dragos, Marcou, Gilles, Varnek, Alexandre
Published in Journal of computer-aided molecular design (01.07.2020)
Published in Journal of computer-aided molecular design (01.07.2020)
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Evolution of commercially available compounds for HTS
Volochnyuk, Dmitriy M., Ryabukhin, Sergey V., Moroz, Yurii S., Savych, Olena, Chuprina, Alexander, Horvath, Dragos, Zabolotna, Yuliana, Varnek, Alexandre, Judd, Duncan B.
Published in Drug discovery today (01.02.2019)
Published in Drug discovery today (01.02.2019)
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Baskin, Igor I., Madzhidov, Timur I., Antipin, Igor S., Varnek, Alexandre A.
Published in Russian chemical reviews (01.12.2017)
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Generative Topographic Mapping of the Docking Conformational Space
Horvath, Dragos, Marcou, Gilles, Varnek, Alexandre
Published in Molecules (Basel, Switzerland) (18.06.2019)
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CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing
Nugmanov, Ramil I, Mukhametgaleev, Ravil N, Akhmetshin, Tagir, Gimadiev, Timur R, Afonina, Valentina A, Madzhidov, Timur I, Varnek, Alexandre
Published in Journal of chemical information and modeling (24.06.2019)
Published in Journal of chemical information and modeling (24.06.2019)
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Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection
Tetko, Igor V, Sushko, Iurii, Pandey, Anil Kumar, Zhu, Hao, Tropsha, Alexander, Papa, Ester, Öberg, Tomas, Todeschini, Roberto, Fourches, Denis, Varnek, Alexandre
Published in Journal of Chemical Information and Modeling (22.09.2008)
Published in Journal of Chemical Information and Modeling (22.09.2008)
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DMSO Solubility Assessment for Fragment-Based Screening
Baybekov, Shamkhal, Marcou, Gilles, Ramos, Pascal, Saurel, Olivier, Galzi, Jean-Luc, Varnek, Alexandre
Published in Molecules (Basel, Switzerland) (28.06.2021)
Published in Molecules (Basel, Switzerland) (28.06.2021)
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An update of skin permeability data based on a systematic review of recent research
Chedik, Lisa, Baybekov, Shamkhal, Cosnier, Frédéric, Marcou, Gilles, Varnek, Alexandre, Champmartin, Catherine
Published in Scientific data (21.02.2024)
Published in Scientific data (21.02.2024)
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