This chapter describes quantitative tools for analyzing chemical structures and relating them to assay results using statistical models. The focus is on prediction of new compounds as well as the exploratory analysis and data mining of large compound databases. Other issues related to how these analytical methods are used are discussed.
CITATION STYLE
Kuhn, M. (2016). Quantitative-Structure Activity Relationship Modeling and Cheminformatics (pp. 141–155). https://doi.org/10.1007/978-3-319-23558-5_6
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