Application of neural networks in structure–activity relationships

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. © 1999 John Wiley & Sons, Inc. Med Res Rev, 19, No. 3, 249–269, 1999.

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