Applications of neural networks in structure-activity relationships of a small number of molecules

• Published in: Journal of medicinal chemistry Vol. 36; no. 7; pp. 811 - 814
• Main Authors: Tetko, I. V, Luik, A. I, Poda, G. I
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 02.04.1993
• Subjects: Biological and medical sciences; Carbazilquinone - analogs & derivatives; General pharmacology; Medical sciences; Mitomycins - pharmacology; Neural Networks (Computer); Pharmacology. Drug treatments; Physicochemical properties. Structure-activity relationships; Structure-Activity Relationship; Statistical analysis; Structure activity relation; Analog; Classification; Prediction; Information processing; Neural network; Conceptual analysis

We investigated the applications of back propagation artificial neural networks (ANN) for a small dataset analysis in the field of structure-activity relationships. The derivatives of carboquinone were used as an example. It's been found that in this case the use of the same neural network resu...