Physical Theoretical Chemistry

An Introduction to Chemoinformatics - download pdf or read online

By Andrew R. Leach,V.J. Gillet

ISBN-10: 1402013477

ISBN-13: 9781402013478

ISBN-10: 1402062907

ISBN-13: 9781402062902

This ebook goals to supply an advent to the main thoughts of chemoinformatics. it's the first textual content written in particular for this box. the 1st a part of the e-book bargains with the illustration of 2nd and 3D molecular buildings, the calculation of molecular descriptors and the development of mathematical versions. the second one half describes different very important themes together with molecular similarity and variety, the research of huge info units, digital screening, and library layout. basic illustrative examples are used all through to demonstrate key ideas, supplemented with case stories from the literature.

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An Introduction to Chemoinformatics by Andrew R. Leach,V.J. Gillet

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