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Chapter 5

Molecular Descriptors for Database Mining. Translating Empirical Chemistry into Mathematics: Tools for QSAR and In Silico Screening Based on the Hydrophobicity of Small Molecules

Even in the era of GPU (graphics processing unit) and of inexpensive multi-core CPU (central processing unit) processors, the problem of discovering new drugs in silico, with a reasonable, i.e., small number of false negatives and, most of all, few false positives, coupled with the utopian desire of...
Print publication date: 15 Jun 2012
Copyright year: 2012
Print ISBN: 978-1-84973-353-3
PDF eISBN: 978-1-84973-537-7
From the book series:
Drug Discovery