Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption

1999 ◽  
Vol 88 (8) ◽  
pp. 807-814 ◽  
Author(s):  
David E. Clark
Keyword(s):  
Intestinal Absorption ◽  
Surface Area ◽  
Transport Phenomena ◽  
Molecular Surface ◽  
Molecular Surface Area ◽  
Rapid Calculation ◽  
Polar Molecular Surface Area

Evaluation of Dynamic Polar Molecular Surface Area as Predictor of Drug Absorption:  Comparison with Other Computational and Experimental Predictors

1998 ◽  
Vol 41 (27) ◽  
pp. 5382-5392 ◽  
Author(s):  
Katrin Palm ◽  
Kristina Luthman ◽  
Anna-Lena Ungell ◽  
Gert Strandlund ◽  
Farideh Beigi ◽  
...  
Keyword(s):  
Surface Area ◽  
Drug Absorption ◽  
Molecular Surface ◽  
Molecular Surface Area ◽  
Polar Molecular Surface Area

A fast pairwise evaluation of molecular surface area

2002 ◽  
Vol 23 (7) ◽  
pp. 737-745 ◽  
Author(s):  
Vladislav Vasilyev ◽  
Enrico O. Purisima
Keyword(s):  
Surface Area ◽  
Molecular Surface ◽  
Molecular Surface Area

Solution Structures of α-Cyclodextrin Complexes with Propanol and Propanesulfonate Estimated from NMR and Molecular Surface Area

2002 ◽  
Vol 106 (25) ◽  
pp. 6431-6436 ◽  
Author(s):  
Noriaki Funasaki ◽  
Seiji Ishikawa ◽  
Saburo Neya
Keyword(s):  
Surface Area ◽  
Molecular Surface ◽  
Cyclodextrin Complexes ◽  
Solution Structures ◽  
Molecular Surface Area

Molecular surface area and hydrophobic effect

1992 ◽  
Vol 5 (8) ◽  
pp. 715-716 ◽  
Author(s):  
I. Tuñón ◽  
E. Silla ◽  
J.L. Pascual-Ahuir
Keyword(s):  
Surface Area ◽  
Hydrophobic Effect ◽  
Molecular Surface ◽  
Molecular Surface Area

Calculations of Molecular Surface Area Changes with Docking of Host and Guest and Applications to Cyclodextrin Inclusion

1999 ◽  
Vol 103 (8) ◽  
pp. 1208-1215 ◽  
Author(s):  
Seiji Ishikawa ◽  
Sakae Hada ◽  
Saburo Neya ◽  
Noriaki Funasaki
Keyword(s):  
Surface Area ◽  
Molecular Surface ◽  
Molecular Surface Area ◽  
Cyclodextrin Inclusion

Novel Method for Molecular Surface Area Calculation and Its Application for the Micelle Formation of Lecithins

1995 ◽  
Vol 99 (29) ◽  
pp. 11508-11514 ◽  
Author(s):  
Seiji Ishikawa ◽  
Sakae Hada ◽  
Noriaki Funasaki
Keyword(s):  
Surface Area ◽  
Micelle Formation ◽  
Molecular Surface ◽  
Molecular Surface Area ◽  
Novel Method

scholarly journals Prediction of solibility of aromatic compounds in water by using total molecular surface area.

1987 ◽  
pp. 1615-1622 ◽  
Author(s):  
Hideko KISHI ◽  
Masayuki NAKAMURA ◽  
Yoshikazu HASHIMOTO
Keyword(s):  
Surface Area ◽  
Aromatic Compounds ◽  
Molecular Surface ◽  
Molecular Surface Area
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