Interpretable, Probability-Based Confidence Metric for Continuous Quantitative Structure–Activity Relationship Models
Author:
Affiliation:
1. Worldwide Medicinal Chemistry, Neuroscience Research Unit, Pfizer Inc., Cambridge, Massachusetts 02139, 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/ci300554t
Reference37 articles.
1. p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure
2. QSAR: dead or alive?
3. The Trouble with QSAR (or How I Learned To Stop Worrying and Embrace Fallacy)
4. On Outliers and Activity CliffsWhy QSAR Often Disappoints
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