Physical Theoretical Chemistry

An Introduction to Chemoinformatics - download pdf or read online

By Andrew R. Leach,V.J. Gillet

ISBN-10: 1402013477

ISBN-13: 9781402013478

ISBN-10: 1402062907

ISBN-13: 9781402062902

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.

Show description

Read or Download An Introduction to Chemoinformatics PDF

Best physical & theoretical chemistry books

C.J. van Leeuwen,J.L.M. Hermens's Risk Assessment of Chemicals: An Introduction PDF

The chance administration of chemical compounds represents a global problem. It occupied a well-known position on schedule 21 of the UN convention on setting and improvement (UNCED), held in Rio de Janeiro in 1992. the advance and harmonization of probability evaluate tools are an important prerequisite to winning hazard administration.

Textbook of Physical Chemistry by H.K. Moudgil PDF

This finished textbook covers the crucial parts of actual chemistry, similar to thermodynamics, quantum chemistry, molecular spectroscopy, chemical kinetics, electrochemistry and nanotechnology. In a methodical and obtainable variety, the publication discusses classical, irreversible and statistical thermodynamics and statistical mechanics, and describes macroscopic chemical platforms, regular states and thermodynamics at a molecular point.

Download PDF by Henry Eyring: Theoretical Chemistry Advances and Perspectives V3

Theoretical Chemistry: Advances and views, quantity three compiles reviews that assessment all points of theoretical chemistry. This e-book starts by way of discussing the advancements that have made the ab initio research of molecular ions possible, by means of a remedy on classical equilibrium thermodynamics.

Download PDF by Arnold Reisman,Ernest M. Loebl: Phase Equilibria: Basic Principles, Applications,

Part Equilibria: simple rules, purposes, Experimental concepts offers an analytical therapy within the learn of the theories and rules of section equilibria. The e-book is geared up to have the funds for a deep and thorough realizing of such topics because the approach to species version platforms; condensed phase-vapor part equilibria and vapor shipping reactions; region refining strategies; and nonstoichiometry.

Additional resources for An Introduction to Chemoinformatics

Example text

Download PDF sample

An Introduction to Chemoinformatics by Andrew R. Leach,V.J. Gillet


by Anthony
4.4

Rated 4.53 of 5 – based on 40 votes