Unlike within the similar region of bioinformatics, few books presently exist that record the recommendations, instruments, and algorithms of chemoinformatics. Bringing jointly around the world specialists within the box, the Handbook of Chemoinformatics Algorithms presents an summary of the commonest chemoinformatics algorithms in one source.
After a ancient viewpoint of the purposes of algorithms and graph thought to chemical difficulties, the booklet provides algorithms for two-dimensional chemical constructions and 3-dimensional representations of molecules. It then makes a speciality of molecular descriptors, digital screening tools, and quantitative structure–activity dating (QSAR) versions, earlier than introducing algorithms to enumerate and pattern chemical constructions. The publication additionally covers computer-aided molecular layout, response community new release, and open resource software program and database applied sciences. the remainder chapters describe ideas constructed within the context of bioinformatics and computational biology and their power functions to chemical problems.
This guide provides a variety of algorithms appropriate in perform, making the publication invaluable to these operating within the box. It bargains an updated account of many algorithmic facets of chemoinformatics.
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