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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Veröffentlicht in:	Proceedings of the National Academy of Sciences - PNAS Jg. 89; H. 23; S. 11322
Hauptverfasser:	King, R D, Muggleton, S, Lewis, R A, Sternberg, M J
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	United States 01.12.1992
Schlagworte:	Artificial Intelligence Drug Design Escherichia coli - enzymology Folic Acid Antagonists Molecular Structure Structure-Activity Relationship Trimethoprim - analogs & derivatives Trimethoprim - chemistry
ISSN:	0027-8424
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