Class information for:
Level 1: PKA PREDICTION//ELECTRODE POTENTIALS//CPCM

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
156 3       PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS//PROTEIN FOLDING//PROTEIN STRUCTURE PREDICTION 63028
269 2             PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF CHEMICAL THEORY AND COMPUTATION//JOURNAL OF COMPUTATIONAL CHEMISTRY 19343
14896 1                   PKA PREDICTION//ELECTRODE POTENTIALS//CPCM 769

Terms with highest relevance score


rank Category termType chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 PKA PREDICTION authKW 320090 2% 46% 17
2 ELECTRODE POTENTIALS authKW 159484 2% 32% 12
3 CPCM authKW 124176 1% 30% 10
4 ANTICOAGULANT COMPOUND authKW 122948 0% 100% 3
5 AQUEOUS ACIDITY authKW 122948 0% 100% 3
6 CYCLIC VOLTAMMETREY authKW 122948 0% 100% 3
7 EXTENDED CLUSTERS CONTINUUM MODEL authKW 122948 0% 100% 3
8 PKA authKW 103556 10% 3% 75
9 SOLVATION MODEL authKW 91814 1% 20% 11
10 AGR FOOD SCI ENGN address 81966 0% 100% 2

Web of Science journal categories


chi_square_rank Category chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 Physics, Atomic, Molecular & Chemical 6198 36% 0% 273
2 Chemistry, Physical 5656 56% 0% 434
3 Chemistry, Multidisciplinary 837 23% 0% 179
4 Mathematics, Interdisciplinary Applications 319 5% 0% 39
5 Computer Science, Interdisciplinary Applications 260 6% 0% 43
6 Chemistry, Medicinal 243 6% 0% 46
7 Electrochemistry 173 5% 0% 36
8 Chemistry, Organic 95 7% 0% 51
9 Computer Science, Information Systems 38 2% 0% 19
10 Biophysics 10 2% 0% 19

Address terms


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 AGR FOOD SCI ENGN 81966 0% 100% 2
2 CERAM CHEM 81966 0% 100% 2
3 SPECT ATOM MOL 73767 0% 60% 3
4 EXCELLENCE ELE OCHEM 54740 4% 5% 29
5 ADV SIMULAT IAS COMPUTAT BIOMED 5 40983 0% 100% 1
6 AMINO ACIDS PEPTIDES GRP ORGAN CHEM 40983 0% 100% 1
7 ANORGAN UNCL ANALYT CHEM 40983 0% 100% 1
8 CHEM SUPERCOMPUTING 40983 0% 100% 1
9 CHIM DCMR 40983 0% 100% 1
10 COMP ASSOSTED DRUG DISCOVERY 40983 0% 100% 1

Journals


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 JOURNAL OF PHYSICAL CHEMISTRY A 10639 12% 0% 89
2 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 8519 4% 1% 32
3 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 5236 5% 0% 38
4 COMPUTATIONAL AND THEORETICAL CHEMISTRY 5206 2% 1% 18
5 JOURNAL OF CHEMICAL INFORMATION AND MODELING 4522 2% 1% 19
6 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 4094 4% 0% 34
7 JOURNAL OF COMPUTATIONAL CHEMISTRY 2844 3% 0% 21
8 THEORETICAL CHEMISTRY ACCOUNTS 2780 2% 0% 14
9 JOURNAL OF PHYSICAL CHEMISTRY B 2566 7% 0% 50
10 JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 2341 1% 1% 8

Author Key Words


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass LCSH search Wikipedia search
1 PKA PREDICTION 320090 2% 46% 17 Search PKA+PREDICTION Search PKA+PREDICTION
2 ELECTRODE POTENTIALS 159484 2% 32% 12 Search ELECTRODE+POTENTIALS Search ELECTRODE+POTENTIALS
3 CPCM 124176 1% 30% 10 Search CPCM Search CPCM
4 ANTICOAGULANT COMPOUND 122948 0% 100% 3 Search ANTICOAGULANT+COMPOUND Search ANTICOAGULANT+COMPOUND
5 AQUEOUS ACIDITY 122948 0% 100% 3 Search AQUEOUS+ACIDITY Search AQUEOUS+ACIDITY
6 CYCLIC VOLTAMMETREY 122948 0% 100% 3 Search CYCLIC+VOLTAMMETREY Search CYCLIC+VOLTAMMETREY
7 EXTENDED CLUSTERS CONTINUUM MODEL 122948 0% 100% 3 Search EXTENDED+CLUSTERS+CONTINUUM+MODEL Search EXTENDED+CLUSTERS+CONTINUUM+MODEL
8 PKA 103556 10% 3% 75 Search PKA Search PKA
9 SOLVATION MODEL 91814 1% 20% 11 Search SOLVATION+MODEL Search SOLVATION+MODEL
10 ALIPHATIC AZACRYPTANDS 81966 0% 100% 2 Search ALIPHATIC+AZACRYPTANDS Search ALIPHATIC+AZACRYPTANDS

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 7530 NONEQUILIBRIUM SOLVATION//POLARIZABLE CONTINUUM MODEL//SOLVENT REORGANIZATION ENERGY
2 16818 DISSOCIATION CONSTANT//ACETONITRILE WATER MIXTURES//METHANOL WATER MIXTURES
3 6134 COMPUTAT CHEM//COMPUTAT QUANTUM CHEM//METAL METAL BONDING
4 35543 CARBONIC ACID//CENTER OF INVERSION//CHEM PHYS HIGH P SU GRP
5 4506 POISSON BOLTZMANN EQUATION//POISSON BOLTZMANN//IMPLICIT SOLVENT MODEL
6 38436 ALTALANOS SZERVETLEN KEMIAI TANSZEKE//FIZIKAI KEMIAI RADIOLOGIAI TANSZEKE//IZOTOP
7 12843 PROTON SPONGE//QUANTUM ORGAN CHEM GRP//1 8 BISDIMETHYLAMINONAPHTHALENE
8 11225 ZUNDEL CATION//PROTONATED WATER CLUSTERS//HYDRONIUM ION
9 15897 PROTON COUPLED ELECTRON TRANSFER//CYCLIC VOLTABSORPTOMETRY CVA//9 OCTYLADENINE
10 16612 DUAL PARAMETER EQUATION//HETEROLYTIC BOND DISSOCIATION ENERGY//HOMOLYTIC BOND DISSOCIATION ENERGY

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