3D-MoRSE descriptors explained

Journal of Molecular Graphics and Modelling

Volumn 54, Issue , 2014, Pages 194-203

  Devinyak, Oleg ^a   Havrylyuk, Dmytro ^b   Lesyk, Roman ^b  

^a UZHGOROD NATIONAL UNIVERSITY   (Ukraine)

^b DANYLO HALYTSKY LVIV NATIONAL MEDICAL UNIVERSITY   (Ukraine)

Author keywords

3D MoRSE descriptors; Descriptor interpretation; QSAR; Radial basis function; Structure encoding

Indexed keywords

CHEMICAL BONDS; ELECTRONEGATIVITY; ENCODING (SYMBOLS); SCATTERING PARAMETERS; SIGNAL ENCODING;

3D STRUCTURE; CHEMOINFORMATICS; DESCRIPTORS; MATHEMATICAL CONCEPTS; NEIGHBOR ATOMS; QSAR; RADIAL BASIS FUNCTIONS; WEIGHTING SCHEME;

COMPUTATIONAL CHEMISTRY;

ARTICLE; BINDING AFFINITY; BIOLOGICAL ACTIVITY; CASE STUDY; ELECTRON DIFFRACTION; EMPIRICAL RESEARCH; GEOMETRY; MOLECULAR WEIGHT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTITATIVE STRUCTURE PROPERTY RELATION; SUBURETHRAL SLING; THEORETICAL STUDY; THREE DIMENSIONAL MOLECULAR REPRESENTATION OF STRUCTURES BASED ON ELECTRONIC DIFFRACTION; WEIGHT CHANGE; CHEMICAL STRUCTURE;

MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84910118863     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2014.10.006     Document Type: Article

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