ChemInform Abstract: The Comparative Molecular Surface Analysis (COMSA) - A Nongrid 3D QSAR Method by a Coupled Neural Network and PLS System: Predicting pKa Values of Benzoic and Alkanoic Acids.

ChemInform ◽  
2010 ◽  
Vol 33 (22) ◽  
pp. no-no
Author(s):  
Jaroslaw Polanski ◽  
Rafal Gieleciak ◽  
Andrzej Bak
Keyword(s):  
Neural Network ◽  
Surface Analysis ◽  
3D Qsar ◽  
Molecular Surface ◽  
Pka Values ◽  
Alkanoic Acids

New molecular surface-based 3D-QSAR method using Kohonen neural network and 3-way PLS

2002 ◽  
Vol 26 (6) ◽  
pp. 583-589 ◽  
Author(s):  
Kiyoshi Hasegawa ◽  
Shigeo Matsuoka ◽  
Masamoto Arakawa ◽  
Kimito Funatsu
Keyword(s):  
Neural Network ◽  
3D Qsar ◽  
Molecular Surface ◽  
Kohonen Neural Network

3D QSAR study of hypolipidemic asarones by comparative molecular surface analysis

2006 ◽  
Vol 14 (5) ◽  
pp. 1630-1643 ◽  
Author(s):  
Tomasz Magdziarz ◽  
Bozena Łozowicka ◽  
Rafał Gieleciak ◽  
Andrzej Bąk ◽  
Jarosław Polański ◽  
...  
Keyword(s):  
Surface Analysis ◽  
3D Qsar ◽  
Molecular Surface ◽  
Qsar Study

3D-QSAR study of antifungal N-myristoyltransferase inhibitors by comparative molecular surface analysis

2003 ◽  
Vol 69 (1-2) ◽  
pp. 51-59 ◽  
Author(s):  
Kiyoshi Hasegawa ◽  
Kenji Morikami ◽  
Yasuhiko Shiratori ◽  
Tatsuo Ohtsuka ◽  
Yuko Aoki ◽  
...  
Keyword(s):  
Surface Analysis ◽  
3D Qsar ◽  
Molecular Surface ◽  
Qsar Study

Occluded molecular surface: Analysis of protein packing

1995 ◽  
Vol 8 (6) ◽  
pp. 334-344 ◽  
Author(s):  
N. Pattabiraman ◽  
K. B. Ward ◽  
P. J. Fleming
Keyword(s):  
Surface Analysis ◽  
Molecular Surface ◽  
Protein Packing
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