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Alexander Tropsha
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Publications
- 2018
- [j59]Yen S. Low, Vinicius M. Alves, Denis Fourches, Alexander Sedykh, Carolina Horta Andrade, Eugene N. Muratov, Ivan Rusyn, Alexander Tropsha:
Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships. J. Chem. Inf. Model. 58(11): 2203-2213 (2018) - 2016
- [j54]Yen S. Low, Ola Caster, Tomas Bergvall, Denis Fourches, Xiaoling Zang, G. Niklas Norén, Ivan Rusyn, I. Ralph Edwards, Alexander Tropsha:
Cheminformatics-aided pharmacovigilance: application to Stevens-Johnson Syndrome. J. Am. Medical Informatics Assoc. 23(5): 968-978 (2016) - [j52]Denis Fourches, Eugene N. Muratov, Alexander Tropsha:
Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation. J. Chem. Inf. Model. 56(7): 1243-1252 (2016) - 2015
- [j51]Denis Fourches, Regina Politi, Alexander Tropsha:
Target-Specific Native/Decoy Pose Classifier Improves the Accuracy of Ligand Ranking in the CSAR 2013 Benchmark. J. Chem. Inf. Model. 55(1): 63-71 (2015) - 2014
- [j48]Denis Fourches, Maria F. Sassano, Bryan L. Roth, Alexander Tropsha:
HTS navigator: freely accessible cheminformatics software for analyzing high-throughput screening data. Bioinform. 30(4): 588-589 (2014) - [j47]Denis Fourches, Alexander Tropsha:
Fishing out the signal in polypharmacological high-throughput screening data using novel navigator cheminformatics software. J. Cheminformatics 6(S-1): 14 (2014) - [j46]Yen S. Low, Alexander Sedykh, Denis Fourches, Alexander Tropsha:
Chemistry-wide association studies (CWAS) to determine joint toxicity effects of co-occurring chemical features. J. Cheminformatics 6(S-1): 15 (2014) - [j45]Alexander Golbraikh, Eugene N. Muratov, Denis Fourches, Alexander Tropsha:
Data Set Modelability by QSAR. J. Chem. Inf. Model. 54(1): 1-4 (2014) - 2013
- [j42]Liying Zhang, Denis Fourches, Alexander Sedykh, Hao Zhu, Alexander Golbraikh, Sean Ekins, Julie Clark, Michele C. Connelly, Martina Sigal, Dena Hodges, Armand Guiguemde, R. Kiplin Guy, Alexander Tropsha:
Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual Screening. J. Chem. Inf. Model. 53(2): 475-492 (2013) - [j41]Denis Fourches, Eugene N. Muratov, Feng Ding, Nikolay V. Dokholyan, Alexander Tropsha:
Predicting Binding Affinity of CSAR Ligands Using Both Structure-Based and Ligand-Based Approaches. J. Chem. Inf. Model. 53(8): 1915-1922 (2013) - 2010
- [j36]Denis Fourches, Eugene N. Muratov, Alexander Tropsha:
Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research. J. Chem. Inf. Model. 50(7): 1189-1204 (2010) - [j35]Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Artem Cherkasov, Jiazhong Li, Paola Gramatica, Katja Hansen, Timon Schroeter, Klaus-Robert Müller, Lili Xi, Huanxiang Liu, Xiaojun Yao, Tomas Öberg, Farhad Hormozdiari, Phuong Dao, Süleyman Cenk Sahinalp, Roberto Todeschini, Pavel G. Polishchuk, Anatoly G. Artemenko, Victor Kuzmin, Todd Martin, Douglas M. Young, Denis Fourches, Eugene N. Muratov, Alexander Tropsha, Igor I. Baskin, Dragos Horvath, Gilles Marcou, Christophe Muller, Alexandre Varnek, Volodymyr V. Prokopenko, Igor V. Tetko:
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set. J. Chem. Inf. Model. 50(12): 2094-2111 (2010) - 2008
- [j28]Hao Zhu, Alexander Tropsha, Denis Fourches, Alexandre Varnek, Ester Papa, Paola Gramatica, Tomas Öberg, Phuong Dao, Artem Cherkasov, Igor V. Tetko:
Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis. J. Chem. Inf. Model. 48(4): 766-784 (2008) - [j26]Igor V. Tetko, Iurii Sushko, Anil Kumar Pandey, Hao Zhu, Alexander Tropsha, Ester Papa, Tomas Öberg, Roberto Todeschini, Denis Fourches, Alexandre Varnek:
Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection. J. Chem. Inf. Model. 48(9): 1733-1746 (2008)
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