Topological modelling of analgesia.
Analgesic activity (log IC) of a large series of 97 analgesics was modelled topologically using a series of distance-based topological indices. The results show that analgesic activity (log IC) exhibit inter familial correlation and these can only be modelled by splitting 97 analgesics into five different categories. The regression analyses of the data show that the Wiener (W)-, Branching (B)- and first-order connectivity (chi)- indices are the better topological indices for modelling the activity (log IC), and that W index gave the excellent results.
Mathur
K C
KC
Department of Chemistry, A.P.S. University, Rewa 486003, India.
Gupta
Sunita
S
Khadikar
P V
PV
D000700:Analgesics / Q000737:chemistry* / Q000145:classification / Q000494:pharmacology*; D008958:Models, Molecular; D008968:Molecular Conformation; D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis
D000700:Analgesics