Consensus versus Individual QSARs in Classification: Comparison on a Large-Scale Case Study
Author:
Affiliation:
1. Milano Chemometrics and QSAR Research Group, University of Milano Bicocca, P.za della Scienza 1, 20126 Milano, Italy
2. Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 4, 8049 Zurich, Switzerland
Funder
Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
http://pubs.acs.org/doi/pdf/10.1021/acs.jcim.9b01057
Reference44 articles.
1. Consensus QSAR Models: Do the Benefits Outweigh the Complexity?
2. Underestimation of Uncertainty in Statistical Regression of Environmental Models: Influence of Model Structure Uncertainty
3. A Stochastic Regression Approach to Analyzing Thermodynamic Uncertainty in Chemical Speciation Modeling
4. Integrated Testing Strategy (ITS) – Opportunities to better use existing data and guide future testing in toxicology
5. QSAR models for bioconcentration: Is the increase in the complexity justified by more accurate predictions?
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