By Andrew R. Leach,V.J. Gillet
This e-book goals to supply an advent to the main concepts of chemoinformatics. it's the first textual content written particularly for this box. the 1st a part of the booklet bargains 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 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 suggestions, supplemented with case reports from the literature.
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An Introduction to Chemoinformatics by Andrew R. Leach,V.J. Gillet