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Improving QSAR models for the biological activity of HIV Reverse Transcriptase inhibitors: Aspects of outlier detection and uninformative variable elimination |
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| Authors: | Daszykowski M Stanimirova I Walczak B Daeyaert F de Jonge M R Heeres J Koymans L M H Lewi P J Vinkers H M Janssen P A Massart D L |
| Affiliation: | a FABI, ChemoAC, Vrije Universiteit Brussel, Laarbeeklaan 103, B-1090 Brussels, Belgium b Department of Chemometrics, Institute of Chemistry, The University of Silesia, 9 Szkolna Street, 40-006 Katowice, Poland c Center for Molecular Design, Janssen Pharmaceutica N.V., Antwerpsesteenweg 37, B-2350, Vosselaar, Belgium |
| Abstract: | |
| Keywords: | Robust calibration Feature selection Multivariate calibration QSAR |
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