Titlebook: An Introduction to Chemoinformatics; Andrew R. Leach,Valerie J. Gillet Textbook 2007 Springer Science+Business Media B.V. 2007 chemical st

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Computational Models, Chapter 7 (note that many of the techniques discussed there can also be applied to small data sets).We will consider the use of simple and multiple linear regression for the derivation of QSAR models, including a discussion of the techniques that can be used to confirm the validity of such models.

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Analysis Of High-Throughput Screening Data,he rate of reaction by 50%). Depending on the numbers involved, these assays may be performed using predissolved liquid samples; to provide final confirmation a dose-response curve is determined from a solid sample whose purity is also checked. If the sample is pure and the compound is deemed to be