By Andrew R. Leach,V.J. Gillet
This publication goals to supply an creation to the foremost strategies of chemoinformatics. it's the first textual content written in particular for this box. the 1st a part of the e-book offers 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 subject matters together with molecular similarity and variety, the research of enormous information units, digital screening, and library layout. uncomplicated illustrative examples are used all through to demonstrate key strategies, supplemented with case reviews from the literature.
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An Introduction to Chemoinformatics by Andrew R. Leach,V.J. Gillet