Structure-activity relationships derived by machine learning: the use of atoms and their bond connectivities to predict mutagenicity by inductive logic programming.

We present a general approach to forming structure-activity relationships (SARs). This approach is based on representing chemical structure by atoms and their bond connectivities in combination with the inductive logic programming (ILP) algorithm PROGOL. Existing SAR methods describe chemical struct...

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Bibliographische Detailangaben
Hauptverfasser: King, R D, Muggleton, S H, Srinivasan, A, Sternberg, M J
Format: Artigo
Sprache:Inglês
Veröffentlicht: 1996
Schlagworte:
Research Article
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC40253/
https://ncbi.nlm.nih.gov/pubmed/8552655
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