Drug design by machine learning: the use of inductive logic programming to model the structure-activity relationships of trimethoprim analogues binding to dihydrofolate reductase

The machine learning program GOLEM from the field of inductive logic programming was applied to the drug design problem of modeling structure-activity relationships. The training data for the program were 44 trimethoprim analogues and their observed inhibition of Escherichia coli dihydrofolate reduc...

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Bibliographic Details

Published in:	Proceedings of the National Academy of Sciences - PNAS Vol. 89; no. 23; p. 11322
Main Authors:	King, R D, Muggleton, S, Lewis, R A, Sternberg, M J
Format:	Journal Article
Language:	English
Published:	United States 01.12.1992
Subjects:	Artificial Intelligence Drug Design Escherichia coli - enzymology Folic Acid Antagonists Molecular Structure Structure-Activity Relationship Trimethoprim - analogs & derivatives Trimethoprim - chemistry
ISSN:	0027-8424
Online Access:	Get more information
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