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

Basic class information
ID Publications Average number
of references		 Avg. shr. active
ref. in WoS
23161 300 34.6 39%


Bar chart of Publication_year

Last years might be incomplete

Classes in level above (level 2)


ID, lev.
above		 Publications Label for level above
926 10467 R0 STRUCTURAL PARAMETERS//XENON SOLUTIONS//CONFORMATIONAL STABILITY

Terms with highest relevance score


Rank Term Type of term Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of
publ. in
class
1 COMPUTAT MOL STRUCT DESIGN Address 12 43% 7% 22
2 GROUP EQUIVALENTS Author keyword 6 100% 1% 4
3 BOND EQUIVALENTS Author keyword 3 100% 1% 3
4 SPASIBA FORCE FIELD Author keyword 3 100% 1% 3
5 MOLECULAR MECHANICS MM4 CALCULATIONS Author keyword 2 67% 1% 2
6 MM3 Author keyword 2 14% 4% 12
7 ATOM EQUIVALENTS Author keyword 1 100% 1% 2
8 COMMON SUBSTRUCTURAL SEARCH Author keyword 1 100% 1% 2
9 MM4 Author keyword 1 50% 1% 2
10 MM4 FORCE FIELD Author keyword 1 100% 1% 2

Web of Science journal categories

Author Key Words


Rank Web of Science journal category Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of
publ. in
class		 LCSH search Wikipedia search
1 GROUP EQUIVALENTS 6 100% 1% 4 Search GROUP+EQUIVALENTS Search GROUP+EQUIVALENTS
2 BOND EQUIVALENTS 3 100% 1% 3 Search BOND+EQUIVALENTS Search BOND+EQUIVALENTS
3 SPASIBA FORCE FIELD 3 100% 1% 3 Search SPASIBA+FORCE+FIELD Search SPASIBA+FORCE+FIELD
4 MOLECULAR MECHANICS MM4 CALCULATIONS 2 67% 1% 2 Search MOLECULAR+MECHANICS+MM4+CALCULATIONS Search MOLECULAR+MECHANICS+MM4+CALCULATIONS
5 MM3 2 14% 4% 12 Search MM3 Search MM3
6 ATOM EQUIVALENTS 1 100% 1% 2 Search ATOM+EQUIVALENTS Search ATOM+EQUIVALENTS
7 COMMON SUBSTRUCTURAL SEARCH 1 100% 1% 2 Search COMMON+SUBSTRUCTURAL+SEARCH Search COMMON+SUBSTRUCTURAL+SEARCH
8 MM4 1 50% 1% 2 Search MM4 Search MM4
9 MM4 FORCE FIELD 1 100% 1% 2 Search MM4+FORCE+FIELD Search MM4+FORCE+FIELD
10 SPASIBA POTENTIAL ENERGY FUNCTION 1 50% 1% 2 Search SPASIBA+POTENTIAL+ENERGY+FUNCTION Search SPASIBA+POTENTIAL+ENERGY+FUNCTION

Key Words Plus


Rank Web of Science journal category Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of
publ. in
class
1 GROUP EQUIVALENTS 19 71% 5% 15
2 CONVERTING ABINITIO ENERGIES 7 50% 3% 10
3 MOLECULAR MECHANICS MM4 6 58% 2% 7
4 ABINITIO ENERGIES 5 34% 4% 11
5 SPECTROSCOPIC POTENTIAL SPASIBA 4 75% 1% 3
6 CONJUGATED HYDROCARBONS 2 11% 5% 15
7 3 AMINOTROPANES 1 100% 1% 2
8 HYDROCARBON ENTHALPIES 1 100% 1% 2
9 IMPROVED FORCE FIELD 1 50% 1% 2
10 PARAMETERIZATION MM2 1 100% 1% 2

Journals

Reviews


Title Publ. year Cit. Active
references		 % act. ref.
to same field
Molecular mechanics (MM4) study of fluorinated hydrocarbons 2006 4 48 42%
Molecular mechanics (MM3) study of organogermanes 1999 2 31 42%
STERIC INTERACTIONS OF DOUBLE-BONDS 1987 6 4 100%
The calculation of thermodynamic properties of molecules 2010 29 63 11%
Molecular mechanics (MM4) calculations on conjugated hydrocarbons 1996 60 33 18%
Quantum-chemical calculations of physical-chemical parameters of fluoroethylenes and other fluorine-containing molecules 1999 0 30 13%

Address terms


Rank Address term Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of
publ. in
class
1 COMPUTAT MOL STRUCT DESIGN 12 43% 7.3% 22
2 CHEM COMPUTAT MOL STRUCT DESIGN 1 50% 0.3% 1
3 CHEM COMPUTAT MOLEC STRUCT DESIGN 1 50% 0.3% 1
4 CHLORORGAN SYNTH 1 50% 0.3% 1
5 CNRS GLYCOBIOL STRUCT FONCT 1 50% 0.3% 1
6 COMPUTAT LITHOG GRP 1 50% 0.3% 1
7 MOLEC MODELING 0 33% 0.3% 1
8 CHEM ANNEX 0 25% 0.3% 1
9 CHEM SCI CHEM 0 25% 0.3% 1
10 CRYSTALLOG CHEM 0 20% 0.3% 1

Related classes at same level (level 1)


Rank Relatedness score Related classes
1 0.0000199599 9 FLUORENYLIDENE//TETRAHYDROPYRIMIDIN 21H ONES//ORGANOBASE
2 0.0000193962 PROTOBRANCHING//GEMINAL REPULSION//POLYINES
3 0.0000142447 ANOMERIC EFFECT//ANOMERIC EFFECTS//PERLIN EFFECT
4 0.0000141641 LOCAL CONFORMER POPULATIONS//SYN PENTANE INTERACTIONS//CYCLOPROPANONE EQUIVALENT
5 0.0000139072 R0 STRUCTURAL PARAMETERS//XENON SOLUTIONS//CONFORMATIONAL STABILITY
6 0.0000136155 1 3 DIOXEPINS//1 CHLORO 2 NITROBENZENE//DIHYDROBENZODITHIEPINES
7 0.0000123247 QUANTUM CHEMICAL EVALUATION//SEMIEMPIRICAL MO THEORY//THEORY EXPERIMENT CORRELATION
8 0.0000122572 MONOSUBSTITUTED ALKANE//AROMATIC IONS//1 1 DISUBSTITUTED CYCLOPROPANES
9 0.0000113013 SCALED QUANTUM MECHANICAL FORCE FIELD//CHEM MOLEC SPECT//3 3 DIMETHYL 1 TRIMETHYLGERMYLCYCLOPROPENE
10 0.0000109851 SOLUTION CONFORMATIONAL ENTROPY//HYDROXY PROTONS//CONFORMATIONAL MAP