Applications of Inductive Logic Programming to Structural Molecular Biology

Principal investigators

Previous work

Quantitative structure activity relationship

M. J. E. Sternberg and R. A. Lewis and R. D. King and S. Muggleton (1992) Modelling the structure and function of enzymes by machine learning. Faraday Discussions:93, 269-80.

King R.D, Muggleton S., and Sternberg M.J.E. (1992). Drug design by machine learning: The use of inductive logic programming to model the structure-activity relationships of trimethoprim analogues binding to dihydrofolate reductase. Proc. of the National Academy of Sciences, 89(23):11322--11326.

King, R.D., Srinivasan, A. and Sternberg, M.J.E. (1995). Relating chemical activity to structure: an examination of ILP successes. New Gen. Comput. (to appear).

R. D. King and S. H. Muggleton and A. Srinivasan and M. J. E. Sternberg (1996) Structure-activity relationships derived by machine learning: the use of atoms and their bond connectivities to predict mutagenicity by inductive logic programming. Proceedings of the National Academy of Sciences of the United States of America, (93):1, 438-42.

Protein topology

S. Muggleton and R. King and M. J. E. Sternberg (1992) Protein secondary structure prediction using logic-based machine learning. Protein Engineering. (5):7, 647--657.

R. D. King and D. A. Clark and J. Shirazi and M. J. Sternberg (1994) Inductive logic programming used to discover topological constraints in protein structures. Intellignent Systems for Molecular Biology, (2) 219-226.

R. D. King and D. A. Clark and J. Shirazi and M. J. Sternberg (1994) On the use of machine learning to identify topological rules in the packing of beta-strands. Protein Engineering, (7):11, 1295-303.

M. J. E. Sternberg and R. D. King and R. A. Lewis and S. Muggleton (1994) Application of machine learning to structural molecular biology. Philosophical Transactions of the Royal Society of London - Series B: Biological Sciences, (344):1310, 365-71.

Turcotte, M. and Muggleton, S.H. and Sternberg, M.J.E. (1998) A Prolog Database Unifying Taxonomic and Structural Information Intelligent Systems for Molecular Biology Book of Abstracts.

M. Turcotte and S.H. Muggleton and M.J.E. Sternberg (1998) Application of Inductive Logic Programming to Discover Rules Governing the Three-Dimensional Topology of Protein Structure Inductive Logic Programming. in C. D. Page Proc. of the 8th International Workshop on Inductive Logic Programming (ILP-98) LNAI 1297, Lecture Notes in Artificial Intelligence 1297, Springer-Verlag, Berlin. Web Supplement

M. Turcotte and S.H. Muggleton and M.J.E. Sternberg (1998) Learning Rules which Relate Local Structure to Specific Protein Taxonomic Classes The 16^th Machine Intelligent Workshop King's Manor, York, December 1--3.