A Fuzzy ARTMAP Based on Quantitative Structure−Property Relationships (QSPRs) for Predicting Aqueous Solubility of Organic Compounds-Reference-Cited by-同舟云学术

A Fuzzy ARTMAP Based on Quantitative Structure−Property Relationships (QSPRs) for Predicting Aqueous Solubility of Organic Compounds

Published:2001-08-25 Issue:5 Volume:41 Page:1177-1207
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Yaffe Denise¹,Cohen Yoram¹,Espinosa Gabriela¹,Arenas Alex¹,Giralt Francesc¹

Affiliation:

1. Department of Chemical Engineering, University of California, Los Angeles, Los Angeles, California 90095-1592, and Departament d'Enginyeria Química, ETSEQ and Departament d'Enginyeria Informàtica, ETSE, Universitat Rovira i Virgili, 43006 Tarragona, Catalunya, Spain

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/ci010323u

Reference58 articles.

1. A method for calculation of the aqueous solubility of organic compounds by using new fragment solubility constants.

2. Development of an automatic estimation system for both the partition coefficient and aqueous solubility

3. Group contribution methods to estimate water solubility of organic chemicals

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