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

By Andrew R. Leach,V.J. Gillet

This ebook goals to supply an advent to the key thoughts of chemoinformatics. it's the first textual content written in particular for this box. the 1st a part of the booklet offers with the illustration of 2nd and 3D molecular constructions, the calculation of molecular descriptors and the development of mathematical versions. the second one half describes different vital issues together with molecular similarity and variety, the research of huge facts units, digital screening, and library layout. basic illustrative examples are used all through to demonstrate key recommendations, supplemented with case reports from the literature.

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