Molecular Similarity Analysis and 3D-QSAR of Neonicotinoid Insecticides

2000 ◽  
pp. 340-341
Author(s):  
Masayuki Sukekawa ◽  
Akira Nakayama
Keyword(s):  
Molecular Similarity ◽  
3D Qsar ◽  
Similarity Analysis ◽  
Neonicotinoid Insecticides

Local Indices for Similarity Analysis (LISA)—A 3D-QSAR Formalism Based on Local Molecular Similarity

2009 ◽  
Vol 49 (12) ◽  
pp. 2695-2707 ◽  
Author(s):  
Jitender Verma ◽  
Alpeshkumar Malde ◽  
Santosh Khedkar ◽  
Radhakrishnan Iyer ◽  
Evans Coutinho
Keyword(s):  
Molecular Similarity ◽  
3D Qsar ◽  
Similarity Analysis

scholarly journals 3D-QSAR STUDY OF NEW ACETYL-COA:CHOLESTEROL O-ACYL TRANSFERASE (ACAT) INHIBITORS

2000 ◽  
Vol 68 (1) ◽  
pp. 65-73
Author(s):  
Salvatore Guccione ◽  
Filippo Russo ◽  
Thierry Langer
Keyword(s):  
Molecular Similarity ◽  
3D Qsar ◽  
Field Analysis ◽  
Similarity Analysis ◽  
Correct Prediction ◽  
Comparative Molecular Field Analysis ◽  
Acyl Transferase ◽  
Training Set ◽  
Qsar Study ◽  
Qsar Models

3D QSAR models using comparative molecular field analysis (CoMFA) and comparative molecular similarity analysis (CoMSIA) were built on a training set of 19 previously described inhibitors of acetyl-CoA:cholesterol O-acyl transferase (ACAT) with a IC50 ranging from 47 nM to 200 µM. The models thus obtained were found to be predictive as shown by correct prediction of the inhibitory activity of a set of recently published compounds.

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