Neural networks have proved to be particularly successful in their ability to identify non-linear relationships. This paper shows that a three-layer back-propagation neural network is able to learn the relationship between the sandalwood odour and molecular structures of 85 organic compounds belongi
Application of neural networks in structure–activity relationships
✍ Scribed by István Kövesdi; Maria Felisa Dominguez-Rodriguez; László Ôrfi; Gábor Náray-Szabó; András Varró; Julius Gy. Papp; Péter Mátyus
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 125 KB
- Volume
- 19
- Category
- Article
- ISSN
- 0198-6325
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✦ Synopsis
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.
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