Hydrophobic similarity between molecules: A MST-based hydrophobic similarity index

Journal of Computational Chemistry

Volumn 23, Issue 5, 2002, Pages 554-563

  Munoz J ^a   Barril, X ^a   Hernandez B ^a   Orozco, Modesto ^a   Javier Luque, F ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

Continuum model; Hydrophobicity; Molecular similarity; MST; Solvation

Indexed keywords

DICYANDIAMIDO; DNA; GUANIDINE DERIVATIVE; HISTAMINE H2 RECEPTOR ANTAGONIST; SOLVENT; WATER;

ALGORITHM; ANIMAL; ARTICLE; BIOLOGY; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ENERGY TRANSFER; HYDROGEN BOND; INTESTINE; METHODOLOGY; RAT; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

ALGORITHMS; ANIMALS; COMPUTATIONAL BIOLOGY; DNA; ENERGY TRANSFER; GUANIDINES; HISTAMINE H2 ANTAGONISTS; HYDROGEN BONDING; INTESTINES; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; RATS; SOLVENTS; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; WATER;

EID: 0037089014     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10055     Document Type: Article

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