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• W2474801060 abstract "This article gives an overview of basic computational methods that are commonly used for analyzing small molecule screening data in the chemical genomics field. First, we introduce cheminformatic concepts for analyzing drug-like small molecule structures and their properties. Second, we introduce compound selection approaches for assembling screening libraries using compound property and diversity analyses. Finally, we discuss methods for interpreting screening hits by analyzing compound structures and induced phenotypes using similarity search and clustering approaches. These are critical steps for optimizing screening hits, and relating structure to bioactivity and phenotype." @default.
• W2474801060 created "2016-07-22" @default.
• W2474801060 creator A5031739103 @default.
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• W2474801060 date "2013-11-26" @default.
• W2474801060 modified "2023-09-26" @default.
• W2474801060 title "Cheminformatic Analysis of High-Throughput Compound Screens" @default.
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• W2474801060 doi "https://doi.org/10.1007/978-1-62703-592-7_15" @default.
• W2474801060 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24306871" @default.
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