By Andrew R. Leach,V.J. Gillet
This e-book goals to supply an advent to the main options of chemoinformatics. it's the first textual content written in particular for this box. the 1st a part of the booklet bargains with the illustration of second and 3D molecular constructions, the calculation of molecular descriptors and the development of mathematical versions. the second one half describes different very important issues together with molecular similarity and variety, the research of huge facts units, digital screening, and library layout. easy illustrative examples are used all through to demonstrate key strategies, supplemented with case reports from the literature.
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