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