Differential Shannon Entropy Analysis Identifies Molecular Property Descriptors that Predict Aqueous Solubility of Synthetic Compounds with High Accuracy in Binary QSAR Calculations-Reference-Cited by-同舟云学术

Differential Shannon Entropy Analysis Identifies Molecular Property Descriptors that Predict Aqueous Solubility of Synthetic Compounds with High Accuracy in Binary QSAR Calculations

Published:2002-02-19 Issue:3 Volume:42 Page:550-558
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Stahura Florence L.¹,Godden Jeffrey W.¹,Bajorath Jürgen¹

Affiliation:

1. Computer-Aided Drug Discovery, Albany Molecular Bothell Research Center, 18804 North Creek Parkway, Bothell, Washington 98011, and Albany Molecular Bothell Research Center and Department of Biological Structure, University of Washington, Seattle, Washington 98195

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/ci010243q

Reference34 articles.

1. The Characterization of Chemical Structures Using Molecular Properties. A Survey

2. Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening

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