Breaking free from chemical spreadsheets. Issue 9 (September 2015)

• Record Type: Journal Article
• Authors: Segall, Matthew; Champness, Ed; Leeding, Chris; Chisholm, James; Hunt, Peter; Elliott, Alex; Garcia-Martinez, Hector; Foster, Nick; Dowling, Samuel
• Is Part Of: Drug discovery today. Volume 20:Issue 9(2015)
• Page Start: 1093
• Page End: 1103
• Publication Date: 2015-09
• Subjects: Drugs -- Design -- Periodicals; Drugs -- Research -- Periodicals; 615.1
• DOI: 10.1016/j.drudis.2015.03.008
• Languages: English
• ISSNs: 1359-6446

Abstract

<abstract abstract-type="author-highlights" id="abs0005"> <title id="sect0005">Highlights</title> <sec> <p id="spar0005"> <list id="lis0005"> <list-item id="lsti0005"> <label></label> <p id="par0005">We think about compounds and data in terms of groups and relationships.</p> </list-item> <list-item id="lsti0010"> <label></label> <p id="par0010">Chemoinformatics methods help to find important patterns in compound data.</p> </list-item> <list-item id="lsti0015"> <label></label> <p id="par0015">Chemical spreadsheets make it difficult to work within these frameworks.</p> </list-item> <list-item id="lsti0020"> <label></label> <p id="par0020">New visual approaches represent compound data in context and facilitate interaction.</p> </list-item> <list-item id="lsti0025"> <label></label> <p id="par0025">Intuitive understanding of patterns and SAR guides further compound optimisation.</p> </list-item> </list> </p> </sec> </abstract>