Application of neural networks: quantitative structure-activity relationships of the derivatives of 2,4-diamino-5-(substituted-benzyl)pyrimidines as DHFR inhibitors.
A comparative study of quantitative structure-activity relationships involving diaminopyrimidines as DHFR inhibitors using regression analysis and the neural-network approach suggests that the neural network can outperform traditional methods. The technique permits the highlighting the functional form of those parameters which have an influence on the biological activity.
So
S S
SS
Physical Chemistry Laboratory, Oxford, United Kingdom.
Richards
W G
WG
D015195:Drug Design; D005493:Folic Acid Antagonists; D016571:Neural Networks, Computer; D011743:Pyrimidines / Q000737:chemistry* / Q000494:pharmacology; D012044:Regression Analysis; D013329:Structure-Activity Relationship
D005493:Folic Acid Antagonists; D011743:Pyrimidines; C017205:2,4-diaminopyrimidine