Literature DB >> 14502499

QSAR of chemical polarizability and nerve toxicity. 2.

Corwin Hansch1, Alka Kurup.   

Abstract

Polarizability is a property of molecules that has long been of interest to scientists from a variety of viewpoints. However, in the area of the QSAR of chemical-biological interactions, it has received little attention. Recently we have shown that one can use the simple summation of the valence electrons (H = 1, C = 4, O = 6, etc.) in a molecule as a measure of its polarizability. We have found this parameter to correlate nerve toxicity of a wide variety of chemicals acting on nerves of frogs, rabbits, cockroaches, and humans.

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Year:  2003        PMID: 14502499     DOI: 10.1021/ci030289e

Source DB:  PubMed          Journal:  J Chem Inf Comput Sci        ISSN: 0095-2338


  3 in total

1.  QSPR modeling of hyperpolarizabilities.

Authors:  Alan R Katritzky; Liliana Pacureanu; Dimitar Dobchev; Mati Karelson
Journal:  J Mol Model       Date:  2007-06-15       Impact factor: 1.810

2.  FlavoDb: a web-based chemical repository of flavonoid compounds.

Authors:  Baban S Kolte; Sanjay R Londhe; Kamini T Bagul; Shristi P Pawnikar; Mayuri B Goundge; Rajesh N Gacche; Rohan J Meshram
Journal:  3 Biotech       Date:  2019-10-31       Impact factor: 2.406

3.  Predicting when biliary excretion of parent drug is a major route of elimination in humans.

Authors:  Chelsea M Hosey; Fabio Broccatelli; Leslie Z Benet
Journal:  AAPS J       Date:  2014-07-09       Impact factor: 4.009

  3 in total

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