R01 GM066940-01A1/GM/NIGMS NIH HHS/United States[Grants and Funding] - Search Results

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Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research.

Fourches D, Muratov E, Tropsha A. Fourches D, et al. J Chem Inf Model. 2010 Jul 26;50(7):1189-204. doi: 10.1021/ci100176x. J Chem Inf Model. 2010. PMID: 20572635 Free PMC article.

Discovery of geranylgeranyltransferase-I inhibitors with novel scaffolds by the means of quantitative structure-activity relationship modeling, virtual screening, and experimental validation.

Peterson YK, Wang XS, Casey PJ, Tropsha A. Peterson YK, et al. J Med Chem. 2009 Jul 23;52(14):4210-20. doi: 10.1021/jm8013772. J Med Chem. 2009. PMID: 19537691 Free PMC article.

A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR models.

Zhang S, Golbraikh A, Oloff S, Kohn H, Tropsha A. Zhang S, et al. J Chem Inf Model. 2006 Sep-Oct;46(5):1984-95. doi: 10.1021/ci060132x. J Chem Inf Model. 2006. PMID: 16995729 Free PMC article.

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