Ranking Chemical Structures for Drug Discovery: A New Machine Learning Approach-Reference-Cited by-同舟云学术

Ranking Chemical Structures for Drug Discovery: A New Machine Learning Approach

Published:2010-04-13 Issue:5 Volume:50 Page:716-731
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Agarwal Shivani¹,Dugar Deepak¹,Sengupta Shiladitya¹

Affiliation:

1. Computer Science and Artificial Intelligence Laboratory, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, and Department of Medicine, Brigham and Women’s Hospital, Harvard Medical School, Boston, Massachusetts 02115, USA

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/ci9003865

Reference58 articles.

1. In Silico Pharmacology: Computer-Aided Methods Could Transform Drug Development

2. The Many Roles of Computation in Drug Discovery

3. Chemoinformatics

4. PLS-regression: a basic tool of chemometrics

5. New approaches to QSAR: Neural networks and machine learning

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