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Year Number of Results
2013 3
2014 10
2015 6
2016 9
2017 1
2024 0

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26 results

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Page 1
Alarms about structural alerts.
Alves V, Muratov E, Capuzzi S, Politi R, Low Y, Braga R, Zakharov AV, Sedykh A, Mokshyna E, Farag S, Andrade C, Kuz'min V, Fourches D, Tropsha A. Alves V, et al. Green Chem. 2016 Aug 21;18(16):4348-4360. doi: 10.1039/C6GC01492E. Epub 2016 Jun 28. Green Chem. 2016. PMID: 28503093 Free PMC article.
Chembench: A Publicly Accessible, Integrated Cheminformatics Portal.
Capuzzi SJ, Kim IS, Lam WI, Thornton TE, Muratov EN, Pozefsky D, Tropsha A. Capuzzi SJ, et al. J Chem Inf Model. 2017 Feb 27;57(2):105-108. doi: 10.1021/acs.jcim.6b00462. Epub 2017 Jan 19. J Chem Inf Model. 2017. PMID: 28045544 Free PMC article.
Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening.
Neves BJ, Dantas RF, Senger MR, Melo-Filho CC, Valente WC, de Almeida AC, Rezende-Neto JM, Lima EF, Paveley R, Furnham N, Muratov E, Kamentsky L, Carpenter AE, Braga RC, Silva-Junior FP, Andrade CH. Neves BJ, et al. J Med Chem. 2016 Aug 11;59(15):7075-88. doi: 10.1021/acs.jmedchem.5b02038. Epub 2016 Jul 22. J Med Chem. 2016. PMID: 27396732 Free PMC article.
QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni.
Melo-Filho CC, Dantas RF, Braga RC, Neves BJ, Senger MR, Valente WC, Rezende-Neto JM, Chaves WT, Muratov EN, Paveley RA, Furnham N, Kamentsky L, Carpenter AE, Silva-Junior FP, Andrade CH. Melo-Filho CC, et al. J Chem Inf Model. 2016 Jul 25;56(7):1357-72. doi: 10.1021/acs.jcim.6b00055. Epub 2016 Jun 16. J Chem Inf Model. 2016. PMID: 27253773 Free PMC article.
QSAR Modeling and Prediction of Drug-Drug Interactions.
Zakharov AV, Varlamova EV, Lagunin AA, Dmitriev AV, Muratov EN, Fourches D, Kuz'min VE, Poroikov VV, Tropsha A, Nicklaus MC. Zakharov AV, et al. Mol Pharm. 2016 Feb 1;13(2):545-56. doi: 10.1021/acs.molpharmaceut.5b00762. Epub 2016 Jan 5. Mol Pharm. 2016. PMID: 26669717
26 results