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Chembench provides a broad range of tools for data visualization and embeds a rigorous workflow for creating and validating predictive Quantitative Structure\u2013Activity Relationship models and using them for virtual screening of chemical libraries to prioritize the compound selection for drug discovery and\/or chemical safety assessment.<\/jats:p>\n                  <jats:p>Availability: Freely accessible at: http:\/\/chembench.mml.unc.edu<\/jats:p>\n                  <jats:p>Contact: \u00a0alex_tropsha@unc.edu<\/jats:p>","DOI":"10.1093\/bioinformatics\/btq556","type":"journal-article","created":{"date-parts":[[2010,10,1]],"date-time":"2010-10-01T20:20:33Z","timestamp":1285964433000},"page":"3000-3001","source":"Crossref","is-referenced-by-count":64,"title":["Chembench: a cheminformatics workbench"],"prefix":"10.1093","volume":"26","author":[{"given":"Theo","family":"Walker","sequence":"first","affiliation":[{"name":"1 Division of Medicinal Chemistry and Natural Products, Eshelman School of Pharmacy and 2Department of Computer Science, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Christopher M.","family":"Grulke","sequence":"additional","affiliation":[{"name":"1 Division of Medicinal Chemistry and Natural Products, Eshelman School of Pharmacy and 2Department of Computer Science, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Diane","family":"Pozefsky","sequence":"additional","affiliation":[{"name":"1 Division of Medicinal Chemistry and Natural Products, Eshelman School of Pharmacy and 2Department of Computer Science, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alexander","family":"Tropsha","sequence":"additional","affiliation":[{"name":"1 Division of Medicinal Chemistry and Natural Products, Eshelman School of Pharmacy and 2Department of Computer Science, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"286","published-online":{"date-parts":[[2010,9,30]]},"reference":[{"key":"2023012507523629800_B1","doi-asserted-by":"crossref","first-page":"1138","DOI":"10.1126\/science.1105511","article-title":"NIH molecular libraries initiative","volume":"306","author":"Austin","year":"2004","journal-title":"Science"},{"key":"2023012507523629800_B2","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1023\/A:1010933404324","article-title":"Random forests","volume":"1","author":"Breiman","year":"2001","journal-title":"Mach. 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