Evaluation of quantitative structure-activity predictions. Comparison of the predictive power of an artificial intelligence system with human experts
- 1 December 1990
- journal article
- Published by Springer Nature in Journal of Mathematical Chemistry
- Vol. 5 (4), 389-407
- https://doi.org/10.1007/bf01164858
Abstract
No abstract availableThis publication has 4 references indexed in Scilit:
- MULTICASE 1. A Hierarchical Computer Automated Structure Evaluation ProgramQuantitative Structure-Activity Relationships, 1992
- Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR StudiesQuantitative Structure-Activity Relationships, 1988
- Artificial intelligence approach to structure-activity studies. Computer automated structure evaluation of biological activity of organic moleculesJournal of the American Chemical Society, 1984
- Cross-Validatory Estimation of the Number of Components in Factor and Principal Components ModelsTechnometrics, 1978