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Fragmental Approach in QSPR

Published:2002-07-31 Issue:5 Volume:42 Page:1112-1122
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Zefirov Nikolai S.¹,Palyulin Vladimir A.¹

Affiliation:

1. Department of Chemistry, Moscow State University, Moscow 119992, Russia

Publisher

American Chemical Society (ACS)

Subject

Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci020010e

Reference100 articles.

1. Prediction of Physicochemical Parameters by Atomic Contributions

2. (b) Vogel, A. I.; Cresswell, W. T.; Jeffery, G. H.; Leicester, J. Physical Properties and Chemical Constitution. Part XXIV. Aliphatic Aldoximes, Ketoximes, and Ketoxime O−Alkyl Ethers, N, N-Dialkyl Hydrazines, Aliphatic Ketazines, Mono- and Di-alkylaminopropionitriles, Alkoxypropionitriles, Dialkyl Azodiformates, and Dialkyl Carbonates. Bond Parachors, Bond Refractions, and Bond-refraction Coefficients.J.Chem. Soc.1952, 514−549.

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