1. Title of Database: Triazines
2. Sources:
Luis Torgo
http://www.ncc.up.pt/~ltorgo/Regression/DataSets.html
4. Relevant Information Paragraph:
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).
5. Number of Instances: 186
6. Number of Attributes: 60
7. Attribute information:
p1_polar : continuous
p1_size : continuous
p1_flex : continuous
p1_h_doner : continuous
p1_h_acceptor : continuous
p1_pi_doner : continuous
p1_pi_acceptor : continuous
p1_polarisable : continuous
p1_sigma : continuous
p1_branch : continuous
p2_polar : continuous
p2_size : continuous
p2_flex : continuous
p2_h_doner : continuous
p2_h_acceptor : continuous
p2_pi_doner : continuous
p2_pi_acceptor : continuous
p2_polarisable : continuous
p2_sigma : continuous
p2_branch : continuous
p3_polar : continuous
p3_size : continuous
p3_flex : continuous
p3_h_doner : continuous
p3_h_acceptor : continuous
p3_pi_doner : continuous
p3_pi_acceptor : continuous
p3_polarisable : continuous
p3_sigma : continuous
p3_branch : continuous
p4_polar : continuous
p4_size : continuous
p4_flex : continuous
p4_h_doner : continuous
p4_h_acceptor : continuous
p4_pi_doner : continuous
p4_pi_acceptor : continuous
p4_polarisable : continuous
p4_sigma : continuous
p4_branch : continuous
p5_polar : continuous
p5_size : continuous
p5_flex : continuous
p5_h_doner : continuous
p5_h_acceptor : continuous
p5_pi_doner : continuous
p5_pi_acceptor : continuous
p5_polarisable : continuous
p5_sigma : continuous
p5_branch : continuous
p6_polar : continuous
p6_size : continuous
p6_flex : continuous
p6_h_doner : continuous
p6_h_acceptor : continuous
p6_pi_doner : continuous
p6_pi_acceptor : continuous
p6_polarisable : continuous
p6_sigma : continuous
p6_branch : continuous
activity : continuous
8. Missing Attribute Values: None