The problem is to learn a regression equation/rule/tree to predict the
activity from the descriptive structural attributes.
The data and methodology is described in detail in:
- King, Ross .D., Hurst, Jonathan. D., and Sternberg, Michael.J.E. A
comparison of artificial intelligence methods for modelling QSARs Applied
Artificial Intelligence, 1994 (in press).
- Hurst, Jonathan. D., King, Ross .D. and Sternberg, Michael.J.E. Quantitative
Structure-Activity Relationships by neural networks and inductive logic
programming: 2. The inhibition of dihydrofolate reductase by triazines. Journal
of Computer Aided Molecular Design, 1994 (in press).