QSAR Study of PAH Carcinogenic Activities: Test of a General Model for Molecular Similarity Analysis

2000 ◽  
pp. 47-52 ◽  
Author(s):  
William C. Herndon ◽  
Hung-Ta Chen ◽  
Yumei Zhang ◽  
Gabrielle Rum
Keyword(s):  
General Model ◽  
Molecular Similarity ◽  
Similarity Analysis ◽  
Qsar Study

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.

Novel amino acids indices based on quantum topological molecular similarity and their application to QSAR study of peptides

Amino Acids ◽  
2010 ◽  
Vol 40 (4) ◽  
pp. 1169-1183 ◽  
Author(s):  
Bahram Hemmateenejad ◽  
Saeed Yousefinejad ◽  
Ahmad Reza Mehdipour
Keyword(s):  
Amino Acids ◽  
Molecular Similarity ◽  
Qsar Study
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