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

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
1353 2701 50.4 81%


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
5 4 CHEMISTRY, ORGANIC//CHEMISTRY, INORGANIC & NUCLEAR//CHEMISTRY, MULTIDISCIPLINARY 1745167
430 3       JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES//JOURNAL OF CHEMICAL INFORMATION AND MODELING//QSAR 27693
1269 2             JOURNAL OF CHEMICAL INFORMATION AND MODELING//LIFE SCI INFORMAT//B IT 8772
1353 1                   JOURNAL OF CHEMICAL INFORMATION AND MODELING//VIRTUAL SCREENING//JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 2701

Terms with highest relevance score


rank Term termType Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 JOURNAL OF CHEMICAL INFORMATION AND MODELING journal 828553 18% 15% 477
2 VIRTUAL SCREENING authKW 638094 13% 17% 341
3 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN journal 537802 11% 16% 290
4 SCORING FUNCTION authKW 446025 4% 36% 109
5 DOCKING authKW 242845 11% 7% 289
6 PROTEIN LIGAND DOCKING authKW 209623 1% 48% 39
7 STRUCTURE BASED DRUG DESIGN authKW 159003 4% 14% 99
8 RECEPTOR FLEXIBILITY authKW 151039 1% 64% 21
9 FLEXIBLE DOCKING authKW 142033 1% 32% 39
10 PROTEIN FLEXIBILITY authKW 116586 2% 20% 51

Web of Science journal categories


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with term
in class
1 Computer Science, Interdisciplinary Applications 66752 42% 1% 1142
2 Chemistry, Medicinal 39812 36% 0% 972
3 Computer Science, Information Systems 15161 20% 0% 534
4 Biophysics 7081 19% 0% 518
5 Chemistry, Multidisciplinary 6229 32% 0% 871
6 Mathematical & Computational Biology 4097 7% 0% 200
7 Biochemistry & Molecular Biology 3263 31% 0% 846
8 Biochemical Research Methods 1187 8% 0% 212
9 Pharmacology & Pharmacy 412 10% 0% 264
10 Crystallography 282 3% 0% 92

Address terms


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 COMP AIDED MOL DESIGN GRP 59860 1% 38% 14
2 LIFE SCI 3358E 33910 0% 100% 3
3 PHARMACEUT INNOVAT VALUE CHAIN 33910 0% 100% 3
4 PROT STRUCT ANAL DESIGN 31394 0% 56% 5
5 ALGORITHMS SCI COMP 29083 0% 23% 11
6 NSF THEORET BIOL PHYS 26801 0% 22% 11
7 GRP COMPUTAT MOL DESIGN 25833 0% 57% 4
8 BIOINFORMAT ZBH 25684 0% 45% 5
9 GRP ORPAILLEUR 25431 0% 75% 3
10 INHIBOX 25431 0% 75% 3

Journals


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 JOURNAL OF CHEMICAL INFORMATION AND MODELING 828553 18% 15% 477
2 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 537802 11% 16% 290
3 JOURNAL OF CHEMINFORMATICS 53003 2% 11% 41
4 JOURNAL OF COMPUTATIONAL CHEMISTRY 36058 5% 2% 140
5 CURRENT COMPUTER-AIDED DRUG DESIGN 33885 1% 9% 32
6 JOURNAL OF MOLECULAR GRAPHICS & MODELLING 31298 3% 4% 72
7 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 28857 3% 3% 85
8 PERSPECTIVES IN DRUG DISCOVERY AND DESIGN 25226 1% 12% 18
9 PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 23699 4% 2% 116
10 MOLECULAR INFORMATICS 17996 1% 6% 28

Author Key Words


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class		 LCSH search Wikipedia search
1 VIRTUAL SCREENING 638094 13% 17% 341 Search VIRTUAL+SCREENING Search VIRTUAL+SCREENING
2 SCORING FUNCTION 446025 4% 36% 109 Search SCORING+FUNCTION Search SCORING+FUNCTION
3 DOCKING 242845 11% 7% 289 Search DOCKING Search DOCKING
4 PROTEIN LIGAND DOCKING 209623 1% 48% 39 Search PROTEIN+LIGAND+DOCKING Search PROTEIN+LIGAND+DOCKING
5 STRUCTURE BASED DRUG DESIGN 159003 4% 14% 99 Search STRUCTURE+BASED+DRUG+DESIGN Search STRUCTURE+BASED+DRUG+DESIGN
6 RECEPTOR FLEXIBILITY 151039 1% 64% 21 Search RECEPTOR+FLEXIBILITY Search RECEPTOR+FLEXIBILITY
7 FLEXIBLE DOCKING 142033 1% 32% 39 Search FLEXIBLE+DOCKING Search FLEXIBLE+DOCKING
8 PROTEIN FLEXIBILITY 116586 2% 20% 51 Search PROTEIN+FLEXIBILITY Search PROTEIN+FLEXIBILITY
9 DRUG DESIGN 102570 6% 5% 167 Search DRUG+DESIGN Search DRUG+DESIGN
10 PROTEIN LIGAND INTERACTIONS 99538 3% 13% 69 Search PROTEIN+LIGAND+INTERACTIONS Search PROTEIN+LIGAND+INTERACTIONS

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.


Rank Reference # ref. in
cl.		 Shr. of ref. in
cl.		 Citations
1 MOITESSIER, N , ENGLEBIENNE, P , LEE, D , LAWANDI, J , CORBEIL, CR , (2008) TOWARDS THE DEVELOPMENT OF UNIVERSAL, FAST AND HIGHLY ACCURATE DOCKING/SCORING METHODS: A LONG WAY TO GO.BRITISH JOURNAL OF PHARMACOLOGY. VOL. 153. ISSUE . P. S7 -S26 161 83% 216
2 HUANG, SY , ZOU, XQ , (2010) ADVANCES AND CHALLENGES IN PROTEIN-LIGAND DOCKING.INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES. VOL. 11. ISSUE 8. P. 3016 -3034 137 83% 75
3 YURIEV, E , RAMSLAND, PA , (2013) LATEST DEVELOPMENTS IN MOLECULAR DOCKING: 2010-2011 IN REVIEW.JOURNAL OF MOLECULAR RECOGNITION. VOL. 26. ISSUE 5. P. 215 -239 136 66% 72
4 SOUSA, SF , RIBEIRO, AJM , COIMBRA, JTS , NEVES, RPP , MARTINS, SA , MOORTHY, NSHN , FERNANDES, PA , RAMOS, MJ , (2013) PROTEIN-LIGAND DOCKING IN THE NEW MILLENNIUM - A RETROSPECTIVE OF 10 YEARS IN THE FIELD.CURRENT MEDICINAL CHEMISTRY. VOL. 20. ISSUE 18. P. 2296 -2314 129 64% 48
5 DIXIT, A , VERKHIVKER, GM , (2012) INTEGRATING LIGAND-BASED AND PROTEIN-CENTRIC VIRTUAL SCREENING OF KINASE INHIBITORS USING ENSEMBLES OF MULTIPLE PROTEIN KINASE GENES AND CONFORMATIONS.JOURNAL OF CHEMICAL INFORMATION AND MODELING. VOL. 52. ISSUE 10. P. 2501-2515 109 89% 12
6 LI, Y , HAN, L , LIU, ZH , WANG, RX , (2014) COMPARATIVE ASSESSMENT OF SCORING FUNCTIONS ON AN UPDATED BENCHMARK: 2. EVALUATION METHODS AND GENERAL RESULTS.JOURNAL OF CHEMICAL INFORMATION AND MODELING. VOL. 54. ISSUE 6. P. 1717 -1736 78 91% 41
7 SOUSA, SF , FERNANDES, PA , RAMOS, MJ , (2006) PROTEIN-LIGAND DOCKING: CURRENT STATUS AND FUTURE CHALLENGES.PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS. VOL. 65. ISSUE 1. P. 15-26 90 76% 381
8 SPERANDIO, O , MITEVA, MA , DELFAUD, F , VILLOUTREIX, BO , (2006) RECEPTOR-BASED COMPUTATIONAL SCREENING OF COMPOUND DATABASES: THE MAIN DOCKING-SCORING ENGINES.CURRENT PROTEIN & PEPTIDE SCIENCE. VOL. 7. ISSUE 5. P. 369-393 172 61% 22
9 YURIEV, E , HOLIEN, J , RAMSLAND, PA , (2015) IMPROVEMENTS, TRENDS, AND NEW IDEAS IN MOLECULAR DOCKING: 2012-2013 IN REVIEW.JOURNAL OF MOLECULAR RECOGNITION. VOL. 28. ISSUE 10. P. 581 -604 110 56% 23
10 CHENG, TJ , LI, QL , ZHOU, ZG , WANG, YL , BRYANT, SH , (2012) STRUCTURE-BASED VIRTUAL SCREENING FOR DRUG DISCOVERY: A PROBLEM-CENTRIC REVIEW.AAPS JOURNAL. VOL. 14. ISSUE 1. P. 133-141 75 82% 113

Classes with closest relation at Level 1


Rank Class id link
1 1013 LIFE SCI INFORMAT//B IT//LIMES PROGRAM UNIT CHEM BIOL MED CHEM
2 23925 WATERMAP//CAMBRIDGE MOL THER EUT PROGRAMME//PROTEIN HYDRATION
3 13497 COMFA//MULTIDIMENSIONAL QSAR//3D QSAR
4 11825 FRAGMENT SCREENING//FRAGMENT BASED DRUG DISCOVERY//NMR SCREENING
5 5802 THERMODYNAMIC INTEGRATION//FREE ENERGY CALCULATIONS//FREE ENERGY PERTURBATION
6 9196 PROTEIN FUNCTION PREDICTION//COMPLEX SCI SOFTWARE//PHYLOGENETIC MOTIFS
7 6443 PROTEIN PROTEIN DOCKING//CAPRI//PROTEIN DOCKING
8 6856 NETWORK PHARMACOLOGY//DRUG REPOSITIONING//SYSTEMS PHARMACOLOGY
9 16087 CONFORMATIONAL SPACE SEARCH//CONFORMATIONAL SEARCH//NAKA WORKS
10 33946 QUIM MED COMPUTAC//BIOTECNOL MOL ESTRUTURAL//GRP QUIM MED PROD NAT

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