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Page 1
Letter from the editors.
Merz KM Jr, Rarey M, Tropsha A, Wahab HA. Merz KM Jr, et al. Among authors: tropsha a. J Chem Inf Model. 2015 Apr 27;55(4):719-20. doi: 10.1021/acs.jcim.5b00180. J Chem Inf Model. 2015. PMID: 25912660 Free article. No abstract available.
A critical overview of computational approaches employed for COVID-19 drug discovery.
Muratov EN , Amaro R , Andrade CH , Brown N , Ekins S , Fourches D , Isayev O , Kozakov D , Medina-Franco JL , Merz KM , Oprea TI , Poroikov V , Schneider G , Todd MH , Varnek A , Winkler DA , Zakharov AV , Cherkasov A , Tropsha A . Muratov EN , et al. Among authors: tropsha a. Chem Soc Rev. 2021 Aug 21;50(16):9121-9151. doi: 10.1039/d0cs01065k. Epub 2021 Jul 2. Chem Soc Rev. 2021. PMID: 34212944 Free PMC article. Review.
Materials Informatics.
Senderowitz H, Tropsha A. Senderowitz H, et al. Among authors: tropsha a. J Chem Inf Model. 2018 Jul 23;58(7):1313-1314. doi: 10.1021/acs.jcim.8b00016. Epub 2018 Apr 11. J Chem Inf Model. 2018. PMID: 29638126 No abstract available.
Beware of R(2): Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models.
Alexander DL, Tropsha A, Winkler DA. Alexander DL, et al. Among authors: tropsha a. J Chem Inf Model. 2015 Jul 27;55(7):1316-22. doi: 10.1021/acs.jcim.5b00206. Epub 2015 Jul 9. J Chem Inf Model. 2015. PMID: 26099013 Free PMC article.
We analyze the widely adopted model fit criteria suggested by Golbraikh and Tropsha ( J. Mol. Graphics Modell. 2002 , 20 , 269 - 276 ) in a strict statistical manner. Shortcomings in these criteria are identified, and a clearer and simpler alternative method …
We analyze the widely adopted model fit criteria suggested by Golbraikh and Tropsha ( J. Mol. Graphics Modell. 2002 , 20 , 269 - 276 …
Curation of chemogenomics data.
Fourches D, Muratov E, Tropsha A. Fourches D, et al. Among authors: tropsha a. Nat Chem Biol. 2015 Aug;11(8):535. doi: 10.1038/nchembio.1881. Nat Chem Biol. 2015. PMID: 26196763 No abstract available.
272 results