Application of neural networks in structure-activity relationships

István Kövesdi, Maria Felisa Dominguez-Rodriguez, László Ôrfi, Gábor Náray-Szabó, András Varró, Julius Gy Papp, Péter Mátyus

Research output: Contribution to journalArticle

62 Citations (Scopus)

Abstract

Methodology and application of artificial neural networks in structure- activity relationships are reviewed focusing on the most frequently used three-layer feedforward back-propagation procedure. Two applications of neural networks are presented and a comparison of the performance with those of CoMFA and a classical QSAR analysis is also discussed.

Original languageEnglish
Pages (from-to)249-269
Number of pages21
JournalMedicinal Research Reviews
Volume19
Issue number3
DOIs
Publication statusPublished - 1999

Fingerprint

Quantitative Structure-Activity Relationship
Structure-Activity Relationship
Neural networks
Backpropagation

Keywords

  • Benzodiazepine receptor
  • Class I antiarrhythmic agents
  • CoMFA
  • Neural networks
  • Structure-activity relationships

ASJC Scopus subject areas

  • Organic Chemistry
  • Pharmacology
  • Medicine(all)

Cite this

Application of neural networks in structure-activity relationships. / Kövesdi, István; Dominguez-Rodriguez, Maria Felisa; Ôrfi, László; Náray-Szabó, Gábor; Varró, András; Papp, Julius Gy; Mátyus, Péter.

In: Medicinal Research Reviews, Vol. 19, No. 3, 1999, p. 249-269.

Research output: Contribution to journalArticle

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