A Quantum Mechanical/Neural Net Model for Boiling Points with Error Estimation-Reference-Cited by-同舟云学术

A Quantum Mechanical/Neural Net Model for Boiling Points with Error Estimation

Published:2001-01-26 Issue:2 Volume:41 Page:457-462
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Chalk Andrew J.¹,Beck Bernd¹,Clark Timothy¹

Affiliation:

1. Computer-Chemie-Centrum, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstrasse 25, D-91052 Erlangen, Germany, and Oxford Molecular Ltd., a subsidiary of Pharmacopeia Inc., Computer-Chemie-Centrum, Nägelsbachstrasse 25, D-91052 Erlangen, Germany

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/ci0004614

Reference39 articles.

1. Leo, A. J.; ClogP; Daylight Chemical Information Systems, Irvine, CA, 1991.

2. New group contribution method for estimating properties of pure compounds

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