Plane of Best Fit: A Novel Method to Characterize the Three-Dimensionality of Molecules-Reference-Cited by-同舟云学术

Plane of Best Fit: A Novel Method to Characterize the Three-Dimensionality of Molecules

Published:2012-09-26 Issue:10 Volume:52 Page:2516-2525
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Firth Nicholas C.¹,Brown Nathan¹,Blagg Julian¹

Affiliation:

1. Cancer Research UK Cancer Therapeutics Unit, Division of Cancer Therapeutics, The Institute of Cancer Research, 15 Cotswold Road, Sutton, Surrey, SM2 5NG, U.K.

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/ci300293f

Reference43 articles.

1. Nonlinear dimensionality reduction and mapping of compound libraries for drug discovery

2. Quantifying structure and performance diversity for sets of small molecules comprising small-molecule screening collections

3. Scaffold Diversity of Exemplified Medicinal Chemistry Space

4. A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape

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