Class information for:
Level 1: COMPUTAT MOL STRUCT DESIGN//MONOSUBSTITUTED ALKANE//GROUP EQUIVALENTS

Basic class information

Bar chart of Publication_year

Last years might be incomplete

Hierarchy of classes

The table includes all classes above and classes immediately below the current class.



Cluster id Level Cluster label #P
6 4 CHEMISTRY, ORGANIC//CHEMISTRY, INORGANIC & NUCLEAR//CHEMISTRY, MULTIDISCIPLINARY 1698077
60 3       PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//CHEMISTRY, PHYSICAL//JOURNAL OF CHEMICAL PHYSICS 92506
1189 2             JOURNAL OF MOLECULAR STRUCTURE//ROTATIONAL SPECTROSCOPY//MICROWAVE SPECTROSCOPY 9601
22168 1                   COMPUTAT MOL STRUCT DESIGN//MONOSUBSTITUTED ALKANE//GROUP EQUIVALENTS 414

Terms with highest relevance score



rank Category termType chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 COMPUTAT MOL STRUCT DESIGN address 789603 6% 45% 23
2 MONOSUBSTITUTED ALKANE authKW 391507 1% 86% 6
3 GROUP EQUIVALENTS authKW 304507 1% 100% 4
4 BOND EQUIVALENTS authKW 228380 1% 100% 3
5 MOLECULAR MECHANICS MM4 CALCULATIONS authKW 228380 1% 100% 3
6 SPASIBA FORCE FIELD authKW 228380 1% 100% 3
7 POLARIZABILITY EFFECT INDEX authKW 190312 1% 50% 5
8 MM3 authKW 171480 3% 16% 14
9 ATOM EQUIVALENTS authKW 152253 0% 100% 2
10 BOND ORBITAL CONNECTION MATRIX authKW 152253 0% 100% 2

Web of Science journal categories



chi_square_rank Category chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 Chemistry, Physical 1627 42% 0% 175
2 Chemistry, Multidisciplinary 1294 37% 0% 153
3 Chemistry, Organic 385 15% 0% 62
4 Physics, Atomic, Molecular & Chemical 356 13% 0% 52
5 Computer Science, Interdisciplinary Applications 152 6% 0% 24
6 Multidisciplinary Sciences 28 2% 0% 7
7 Education, Scientific Disciplines 26 1% 0% 6
8 Crystallography 13 2% 0% 9
9 Biophysics 10 3% 0% 12
10 Spectroscopy 3 1% 0% 6

Address terms



chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 COMPUTAT MOL STRUCT DESIGN 789603 6% 45% 23
2 CATTEDRA CHIM GEN INORGAN 2 76127 0% 100% 1
3 CHIM PHYS EQUIPE RECH SPECT CHIM QUANT 76127 0% 100% 1
4 CHIM PHYS INTER ES MILIEUX ELE OLYT EA 76127 0% 100% 1
5 COMPUAT MOL STRUCT DESIGN 76127 0% 100% 1
6 ENGN SYNTHET CHEM156 TOKIWADAI 76127 0% 100% 1
7 HUNAN PROV UNIVMINIST EDUC 76127 0% 100% 1
8 MINIST EDUC QSAR QSPR HUNAN PROV UNIV 76127 0% 100% 1
9 MINIST EDUCHUNAN PROV UNIV CHEM CHEM ENGN 76127 0% 100% 1
10 QSAR QSPR THEORET CHEM MOL SIMU 76127 0% 100% 1

Journals



chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 JOURNAL OF COMPUTATIONAL CHEMISTRY 43639 14% 1% 60
2 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 7130 4% 1% 18
3 ELECTRONIC JOURNAL OF THEORETICAL CHEMISTRY 5852 0% 4% 2
4 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 4821 7% 0% 27
5 JOURNAL OF MOLECULAR STRUCTURE 3249 7% 0% 30
6 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 1312 2% 0% 7
7 JOURNAL OF MOLECULAR MODELING 1257 2% 0% 8
8 COMPUTERS & CHEMISTRY 1236 1% 0% 4
9 CHINESE JOURNAL OF CHEMICAL PHYSICS 1010 1% 0% 5
10 REVIEWS IN COMPUTATIONAL CHEMISTRY 987 0% 1% 1

Author Key Words



chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass LCSH search Wikipedia search
1 MONOSUBSTITUTED ALKANE 391507 1% 86% 6 Search MONOSUBSTITUTED+ALKANE Search MONOSUBSTITUTED+ALKANE
2 GROUP EQUIVALENTS 304507 1% 100% 4 Search GROUP+EQUIVALENTS Search GROUP+EQUIVALENTS
3 BOND EQUIVALENTS 228380 1% 100% 3 Search BOND+EQUIVALENTS Search BOND+EQUIVALENTS
4 MOLECULAR MECHANICS MM4 CALCULATIONS 228380 1% 100% 3 Search MOLECULAR+MECHANICS+MM4+CALCULATIONS Search MOLECULAR+MECHANICS+MM4+CALCULATIONS
5 SPASIBA FORCE FIELD 228380 1% 100% 3 Search SPASIBA+FORCE+FIELD Search SPASIBA+FORCE+FIELD
6 POLARIZABILITY EFFECT INDEX 190312 1% 50% 5 Search POLARIZABILITY+EFFECT+INDEX Search POLARIZABILITY+EFFECT+INDEX
7 MM3 171480 3% 16% 14 Search MM3 Search MM3
8 ATOM EQUIVALENTS 152253 0% 100% 2 Search ATOM+EQUIVALENTS Search ATOM+EQUIVALENTS
9 BOND ORBITAL CONNECTION MATRIX 152253 0% 100% 2 Search BOND+ORBITAL+CONNECTION+MATRIX Search BOND+ORBITAL+CONNECTION+MATRIX
10 BRANCHED OCTANES 152253 0% 100% 2 Search BRANCHED+OCTANES Search BRANCHED+OCTANES

Core articles

The table includes core articles in the class. The following variables is taken into account for the relevance score of an article in a cluster c:
(1) Number of references referring to publications in the class.
(2) Share of total number of active references referring to publications in the class.
(3) Age of the article. New articles get higher score than old articles.
(4) Citation rate, normalized to year.

Classes with closest relation at Level 1



rank cluster_id2 link
1 26865 COMMON SUBSTRUCTURAL SEARCH//CYCLOPROPANONE EQUIVALENT//1 2 5 4 5 6 7 8 OCTAHYDROANTHRACENE 9 10 DICARBONITRILE
2 19625 DFT BLYP//GIOCOMMS//AB INITIO MO STUDY
3 12271 ANOMERIC EFFECT//SILACYCLOHEXANE//PERLIN EFFECT
4 37680 APPROXIMATE QUANTUM MECHANICAL DESCRIPTION//CHARGES AT ATOMS//ELECTRONEGATIVITY SCALE
5 8594 CONFORMATIONAL STABILITY//XENON SOLUTIONS//R0 STRUCTURAL PARAMETERS
6 15840 SCALED QUANTUM MECHANICAL FORCE FIELD//CHEM MOLEC SPECT//3 3 DIMETHYL 1 TRIMETHYLGERMYLCYCLOPROPENE
7 32518 DIENES CONJUGATED//BUTADIENES ORTHOGONAL GAUCHE//OEKOL CHEM
8 18505 SILYLBENZENES//BISTRIMETHYLSTANNYLACETYLENE//DISILYLAMINE
9 30235 CYCLOALCANES//ALKYLSULFONAMIDE//COMPETITIVE ADHESION MODES
10 17851 ORGAN CHEM A MANGINI//8 C GLUCOSYL PRUNETIN//INVERTOMER PREFERENCES

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