A system that predicts properties or activities of chemicals from rules devised by domain experts.
Example: The CLOGP program to predict
log P or the Derek Nexus system to predict toxicity.
Source:
PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 246 (https://doi.org/10.1515/pac-2012-1204)