Knowledge-based expert systems in chemistry : not counting on computers

Introduction Knowledge-Based Approach to Synthesis Planning EROS and CAMEO Spin-off from the Harvard project Structure, sub-structure and super-structure searching - technical Structure representations Explicit and implicit hydrogen atoms Aromaticity, tautomerism, stereochemistry Predicting toxicity - DEREK PHARM-MATCH and TOX-MATCH, Oncologic, and HazardExpert TopKat and Multicase The 2D/2.5D/3D debate Using reasoning - Derek for Windows Predicting metabolism - Meteor Relative reasoning Biodegradation Other potential applications Consensus modelling Evaluation and Validation Conclusions/Where now?