Class information for:
Level 1: JOURNAL OF CHEMICAL INFORMATION AND MODELING//VIRTUAL SCREENING//JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

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
318 2             PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS//PROTEIN STRUCTURE PREDICTION//JOURNAL OF CHEMICAL INFORMATION AND MODELING 18575
1311 1                   JOURNAL OF CHEMICAL INFORMATION AND MODELING//VIRTUAL SCREENING//JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 2739

Terms with highest relevance score


rank Category termType chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 JOURNAL OF CHEMICAL INFORMATION AND MODELING journal 829710 18% 15% 484
2 VIRTUAL SCREENING authKW 644567 13% 16% 351
3 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN journal 555188 11% 16% 296
4 SCORING FUNCTION authKW 479827 4% 36% 115
5 DOCKING authKW 260777 11% 7% 307
6 PROTEIN LIGAND DOCKING authKW 224837 1% 48% 41
7 STRUCTURE BASED DRUG DESIGN authKW 152234 4% 14% 98
8 RECEPTOR FLEXIBILITY authKW 149209 1% 62% 21
9 FLEXIBLE DOCKING authKW 143380 1% 32% 39
10 PROTEIN FLEXIBILITY authKW 105756 2% 19% 49

Web of Science journal categories


chi_square_rank Category chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 Computer Science, Interdisciplinary Applications 67017 42% 1% 1157
2 Chemistry, Medicinal 39704 36% 0% 977
3 Computer Science, Information Systems 15180 20% 0% 543
4 Biophysics 7268 19% 0% 525
5 Chemistry, Multidisciplinary 6294 32% 0% 882
6 Mathematical & Computational Biology 4365 8% 0% 209
7 Biochemistry & Molecular Biology 3463 32% 0% 870
8 Biochemical Research Methods 1250 8% 0% 218
9 Pharmacology & Pharmacy 410 10% 0% 265
10 Crystallography 282 3% 0% 92

Address terms


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 COMP AIDED MOL DESIGN GRP 54980 1% 34% 14
2 GPIN 36814 0% 80% 4
3 LIFE SCI 3358E 34515 0% 100% 3
4 PHARMACEUT INNOVAT VALUE CHAIN 34515 0% 100% 3
5 PROT STRUCT ANAL DESIGN 31953 0% 56% 5
6 ALGORITHMS SCI COMP 29602 0% 23% 11
7 GRP ORPAILLEUR 25884 0% 75% 3
8 INHIBOX 25884 0% 75% 3
9 BASIC PROGRAMNANOBIOL PROGRAM 23010 0% 100% 2
10 BIOINFORMAT MODELAGEM SIMULACAO BIOSISTEMAS 23010 0% 100% 2

Journals


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 JOURNAL OF CHEMICAL INFORMATION AND MODELING 829710 18% 15% 484
2 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 555188 11% 16% 296
3 JOURNAL OF CHEMINFORMATICS 51434 2% 11% 42
4 JOURNAL OF COMPUTATIONAL CHEMISTRY 33711 5% 2% 136
5 CURRENT COMPUTER-AIDED DRUG DESIGN 32576 1% 9% 32
6 JOURNAL OF MOLECULAR GRAPHICS & MODELLING 32181 3% 4% 75
7 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 28004 3% 3% 83
8 PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 23136 4% 2% 115
9 PERSPECTIVES IN DRUG DISCOVERY AND DESIGN 22900 1% 12% 17
10 MOLECULAR INFORMATICS 17095 1% 5% 28

Author Key Words


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass LCSH search Wikipedia search
1 VIRTUAL SCREENING 644567 13% 16% 351 Search VIRTUAL+SCREENING Search VIRTUAL+SCREENING
2 SCORING FUNCTION 479827 4% 36% 115 Search SCORING+FUNCTION Search SCORING+FUNCTION
3 DOCKING 260777 11% 7% 307 Search DOCKING Search DOCKING
4 PROTEIN LIGAND DOCKING 224837 1% 48% 41 Search PROTEIN+LIGAND+DOCKING Search PROTEIN+LIGAND+DOCKING
5 STRUCTURE BASED DRUG DESIGN 152234 4% 14% 98 Search STRUCTURE+BASED+DRUG+DESIGN Search STRUCTURE+BASED+DRUG+DESIGN
6 RECEPTOR FLEXIBILITY 149209 1% 62% 21 Search RECEPTOR+FLEXIBILITY Search RECEPTOR+FLEXIBILITY
7 FLEXIBLE DOCKING 143380 1% 32% 39 Search FLEXIBLE+DOCKING Search FLEXIBLE+DOCKING
8 PROTEIN FLEXIBILITY 105756 2% 19% 49 Search PROTEIN+FLEXIBILITY Search PROTEIN+FLEXIBILITY
9 PROTEIN LIGAND INTERACTIONS 101452 3% 13% 70 Search PROTEIN+LIGAND+INTERACTIONS Search PROTEIN+LIGAND+INTERACTIONS
10 DRUG DESIGN 92887 6% 5% 161 Search DRUG+DESIGN Search DRUG+DESIGN

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
1 650 LIFE SCI INFORMAT//B IT//LIMES PROGRAM UNIT CHEM BIOL MED CHEM
2 4262 FREE ENERGY CALCULATIONS//FREE ENERGY PERTURBATION//THERMODYNAMIC INTEGRATION
3 8231 PROTEIN FUNCTION PREDICTION//3D ZERNIKE DESCRIPTOR//COMPLEX SCI SOFTWARE
4 33482 LINEAR BINDING MOTIFS//ROSETTA FLEXPEPDOCK//COMPUTATIONAL PEPTIDOLOGY
5 10444 COMFA//3D QSAR//MULTIDIMENSIONAL QSAR
6 13820 NMR SCREENING//FRAGMENT SCREENING//FRAGMENT BASED DRUG DISCOVERY
7 6486 CAPRI//PROTEIN PROTEIN DOCKING//PROTEIN DOCKING
8 16243 BAKER CHEM CHEM BIOL//UNRES FORCE FIELD//CONFORMATIONAL SPACE ANNEALING
9 8037 DRUG REPOSITIONING//NETWORK PHARMACOLOGY//SYSTEMS PHARMACOLOGY
10 36999 VLIFE MDS//GROUP BASED QSAR//G QSAR

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