Most Ligand-Based Classification Benchmarks Reward Memorization Rather than Generalization-Reference-Cited by-同舟云学术

Most Ligand-Based Classification Benchmarks Reward Memorization Rather than Generalization

Published:2018-04-26 Issue:5 Volume:58 Page:916-932
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Wallach Izhar¹^ORCID,Heifets Abraham¹

Affiliation:

1. Atomwise Inc., 221 Main Street, Suite 1350, San Francisco, California 94105, United States

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/acs.jcim.7b00403

Reference40 articles.

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2. The Experimental Uncertainty of Heterogeneous Public Ki Data

3. Comparability of Mixed IC50 Data – A Statistical Analysis

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