Chemometric

Chemometric Methods in Molecular Design (Methods and Principles in Medicinal Chemistry) by Han Waterbeemd

Chemometric Methods in Molecular Design (Methods and Principles in Medicinal Chemistry) by Han Waterbeemd
English | February 1995 | ISBN: 3527300449 | 361 pages | PDF | 17 MB

The statistical analysis of experimental and theoretical data lies at the heart of modern drug design. This practice-oriented handbook is a comprehensive account of modern chemometric methods in molecular design. It presents strategies for making more rational choices in the planning of syntheses, and describes techniques for analyzing biological and chemical data.
Basic Chemometric Techniques in Atomic Spectroscopy, 2nd edition

Basic Chemometric Techniques in Atomic Spectroscopy, 2nd edition By Andrade-Garda, A
2013 | 430 Pages | ISBN: 1849737967 | PDF | 6 MB
Basic Chemometric Techniques in Atomic Spectroscopy (Repost)

Jose Manuel Andrade-Garda, "Basic Chemometric Techniques in Atomic Spectroscopy"
2009 | pages: 314 | ISBN: 0854041591 | PDF | 5,4 mb
Chemometrics in Analytical Spectroscopy (RSC Analytical Spectroscopy Monographs) (repost)

Chemometrics in Analytical Spectroscopy (RSC Analytical Spectroscopy Monographs) by M. J. Adams and Mike J. Adams
English | August 1995 | ISBN-10: 0854045554 | 224 pages | PDF | 6,2 Mb

This introductory text aims to provide students and researchers with a guide to the application of the chemometric techniques used to process and interpret analytical data. It provides the reader with sufficient details of the fundamental methods to encourage further exploration.

Chemometrics in Analytical Spectroscopy  

Posted by rolexmaya at Jan. 23, 2011
Chemometrics in Analytical Spectroscopy

Chemometrics in Analytical Spectroscopy
Royal Society of Chemistry | August 1995 | ISBN-10: 0854045554 | 224 pages | PDF | 6 Mb

This introductory text aims to provide students and researchers with a guide to the application of the chemometric techniques used to process and interpret analytical data.

Molecular Discovery VolSurf Plus v1.0.4  Software

Posted by Король ссылки at May 30, 2010
Molecular Discovery VolSurf Plus v1.0.4

Molecular Discovery VolSurf Plus v1.0.4 | 42 MB

The pharmacokinetic behaviour of compounds is linked to their efficacy and thus is critical for drug discovery Understanding how to optimise compounds according to multiple simultaneous criteria is a great advantage in focusing design efforts VolSurf+ creates 128 molecular descriptors from 3D Molecular Interaction Fields (MIFs) produced by our
software GRID, which are particularly relevant to ADME prediction and are also simple to interpret. One example would be the interaction energy moment descriptor between
hydrophobic and hydrophilic regions, which is important for membrane permeability prediction. These can then be used with provided chemometric tools to build statistical models