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

By Andrew R. Leach,V.J. Gillet

This ebook goals to supply an creation to the key suggestions of chemoinformatics. it's the first textual content written particularly for this box. the 1st a part of the publication 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 enormous facts units, digital screening, and library layout. basic illustrative examples are used all through to demonstrate key options, supplemented with case experiences from the literature.

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