By Andrew R. Leach,V.J. Gillet
This ebook goals to supply an advent to the key thoughts of chemoinformatics. it's the first textual content written in particular for this box. the 1st a part of the booklet offers with the illustration of 2nd and 3D molecular constructions, the calculation of molecular descriptors and the development of mathematical versions. the second one half describes different vital issues together with molecular similarity and variety, the research of huge facts units, digital screening, and library layout. basic illustrative examples are used all through to demonstrate key recommendations, supplemented with case reports from the literature.
Read Online or Download An Introduction to Chemoinformatics PDF
Best physical & theoretical chemistry books
Guide of Flotation Reagents: Chemistry, conception and perform is a condensed kind of the elemental wisdom of chemical reagents normal in flotation and is addressed to the researchers and plant metallurgists who hire those reagents. along with 3 exact elements: 1) presents targeted description of the chemistry utilized in mineral processing undefined; 2) describes theoretical facets of the motion of flotation reagents three) offers info at the use of reagents in over a hundred working vegetation treating Cu, Cu/Zn, Cu/Pb, Zn, Pb/Zn/Ag, Cu/Ni and Ni ores.
Chronic natural toxins (POPs) stay the topic of shock among the general public, in addition to the clinical and policy-making groups. those matters are exemplified by means of the foreign efforts co-ordinated by means of the United countries' setting Programme and the +Economic fee for Europe.
This e-book describes one of the most fascinating advancements for the invention of latest medicines, comparable to Fragment-based tools. It includes the newest advancements in applied sciences that may be used to procure the three-D constructions. This booklet comprises experimental methods utilizing X-ray crystallography and NMR for Fragment-based screening in addition to different biophysical equipment for learning protein/ligand interactions.
Intercalation Chemistry introduces the professional reader to the breadth of intercalation chemistry and the newcomer to the varied study possibilities and demanding situations to be had in artificial and response chemistry and likewise within the managed amendment of actual homes. themes lined diversity from graphite chemistry to sheet silicate intercalates, diffusion and shape-selective catalysis in zeolites, natural and organometallic intercalation compounds of the transition steel dichalcogenides, and solvated intercalation compounds of layered chalcogenide and oxide bronzes.
Extra resources for An Introduction to Chemoinformatics