Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log P-Reference-Cited by-同舟云学术

Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log P

Published:2008-01-01 Issue:1 Volume:48 Page:220-232
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Hughes Laura D.¹,Palmer David S.¹,Nigsch Florian¹,Mitchell John B. O.¹

Affiliation:

1. Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci700307p

Reference53 articles.

1. Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid Drugs

2. Generalized Fragment-Substructure Based Property Prediction Method

3. Prediction of drug solubility from structure

4. In silicoprediction of aqueous solubility

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