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