Class information for:
Level 2: JOURNAL OF CHEMICAL INFORMATION AND MODELING//LIFE SCI INFORMAT//B IT

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
1269 8772 42.4 79%


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
1013 1                   LIFE SCI INFORMAT//B IT//LIMES PROGRAM UNIT CHEM BIOL MED CHEM 2903
1353 1                   JOURNAL OF CHEMICAL INFORMATION AND MODELING//VIRTUAL SCREENING//JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 2701
9656 1                   JOURNAL OF BIOMOLECULAR SCREENING//ASSAY AND DRUG DEVELOPMENT TECHNOLOGIES//PHOS TAG 1134
11825 1                   FRAGMENT SCREENING//FRAGMENT BASED DRUG DISCOVERY//NMR SCREENING 951
21105 1                   HIGH RESOLUTION SCREENING//ULTRAFILTRATION LC MS//LIGAND FISHING 433
21935 1                   COMPOUND MANAGEMENT//ACOUSTIC DROPLET EJECTION//ASSAY READY PLATES 400
26591 1                   CHINESE PEDIAT//MED GENET PEDIAT MED//PHARMACOINFORMAT NANOTECHNOL 250

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 1324208 12% 35% 1087
2 LIFE SCI INFORMAT address 579768 3% 67% 247
3 B IT address 557713 2% 81% 199
4 VIRTUAL SCREENING authKW 477665 6% 26% 532
5 LIMES PROGRAM UNIT CHEM BIOL MED CHEM address 468173 2% 83% 162
6 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN journal 377278 5% 25% 438
7 JOURNAL OF CHEMINFORMATICS journal 290672 2% 48% 173
8 MOLECULAR SIMILARITY authKW 195756 1% 49% 116
9 JOURNAL OF BIOMOLECULAR SCREENING journal 168077 3% 17% 288
10 SCORING FUNCTION authKW 155386 1% 39% 116

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 102138 29% 1% 2565
2 Chemistry, Medicinal 97943 31% 1% 2757
3 Computer Science, Information Systems 26781 15% 1% 1294
4 Biochemical Research Methods 16858 15% 0% 1339
5 Chemistry, Multidisciplinary 13737 27% 0% 2386
6 Biophysics 7122 11% 0% 984
7 Mathematical & Computational Biology 6630 5% 0% 467
8 Biochemistry & Molecular Biology 5448 24% 0% 2107
9 Chemistry, Analytical 4286 11% 0% 947
10 Pharmacology & Pharmacy 4124 15% 0% 1306

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 LIFE SCI INFORMAT 579768 3% 67% 247
2 B IT 557713 2% 81% 199
3 LIMES PROGRAM UNIT CHEM BIOL MED CHEM 468173 2% 83% 162
4 CHINESE PEDIAT 45458 0% 93% 14
5 LIMES PROGRAM 31306 0% 75% 12
6 COMP AIDED DRUG DISCOVERY 28978 0% 30% 28
7 DECS GLOBAL COMPOUND SCI 27832 0% 100% 8
8 BIOINFORMAT ZBH 25615 0% 82% 9
9 LIMES PROGRAMUNIT CHEM BIOL MED CHEM 24738 0% 89% 8
10 UNIT CHEM BIOL MED CHEMB IT 24353 0% 100% 7

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 1324208 12% 35% 1087
2 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 377278 5% 25% 438
3 JOURNAL OF CHEMINFORMATICS 290672 2% 48% 173
4 JOURNAL OF BIOMOLECULAR SCREENING 168077 3% 17% 288
5 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 155190 4% 13% 355
6 MOLECULAR INFORMATICS 105280 1% 25% 122
7 DRUG DISCOVERY TODAY 77332 3% 10% 234
8 COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING 59331 2% 11% 151
9 ASSAY AND DRUG DEVELOPMENT TECHNOLOGIES 48753 1% 14% 98
10 JOURNAL OF MEDICINAL CHEMISTRY 37132 5% 2% 482

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 477665 6% 26% 532 Search VIRTUAL+SCREENING Search VIRTUAL+SCREENING
2 MOLECULAR SIMILARITY 195756 1% 49% 116 Search MOLECULAR+SIMILARITY Search MOLECULAR+SIMILARITY
3 SCORING FUNCTION 155386 1% 39% 116 Search SCORING+FUNCTION Search SCORING+FUNCTION
4 SIMILARITY SEARCHING 140687 1% 67% 60 Search SIMILARITY+SEARCHING Search SIMILARITY+SEARCHING
5 LIBRARY DESIGN 127316 1% 59% 62 Search LIBRARY+DESIGN Search LIBRARY+DESIGN
6 DOCKING 113661 4% 9% 357 Search DOCKING Search DOCKING
7 DRUG DESIGN 103700 3% 10% 303 Search DRUG+DESIGN Search DRUG+DESIGN
8 CHEMICAL SPACE 98007 1% 46% 61 Search CHEMICAL+SPACE Search CHEMICAL+SPACE
9 CHEMINFORMATICS 95972 1% 35% 79 Search CHEMINFORMATICS Search CHEMINFORMATICS
10 DRUG DISCOVERY 93323 3% 9% 306 Search DRUG+DISCOVERY Search DRUG+DISCOVERY

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 162 84% 216
2 WILLETT, P , (2009) SIMILARITY METHODS IN CHEMOINFORMATICS.ANNUAL REVIEW OF INFORMATION SCIENCE AND TECHNOLOGY. VOL. 43. ISSUE . P. 3 -71 235 77% 19
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 -239 143 69% 72
4 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. 369-393 205 72% 22
5 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
6 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 -604 125 64% 23
7 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 134 67% 48
8 GORSE, AD , (2006) DIVERSITY IN MEDICINAL CHEMISTRY SPACE.CURRENT TOPICS IN MEDICINAL CHEMISTRY. VOL. 6. ISSUE 1. P. 3-18 161 77% 46
9 REYMOND, JL , RUDDIGKEIT, L , BLUM, L , VAN DEURSEN, R , (2012) THE ENUMERATION OF CHEMICAL SPACE.WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. VOL. 2. ISSUE 5. P. 717 -733 122 83% 21
10 XIA, J , TILAHUN, EL , REID, TE , ZHANG, LG , WANG, XS , (2015) BENCHMARKING METHODS AND DATA SETS FOR LIGAND ENRICHMENT ASSESSMENT IN VIRTUAL SCREENING.METHODS. VOL. 71. ISSUE . P. 146 -157 101 94% 4

Classes with closest relation at Level 2


Rank Class id link
1 3226 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES//IUPAC POLYMER DIVISION//LIMS
2 1068 WIENER INDEX//QSAR//MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY
3 2525 PROTEIN MICROARRAY//DIAZIRINE//PROTEIN ARRAY
4 365 PROTEIN STRUCTURE PREDICTION//PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS//PSEUDO AMINO ACID COMPOSITION
5 868 BMC BIOINFORMATICS//MATHEMATICAL & COMPUTATIONAL BIOLOGY//BIOINFORMATICS
6 3354 DIHYDROFOLATE REDUCTASE//HPPK//DHFR
7 4146 PIM KINASE//PIM 1//PIM 2
8 260 PROTEIN FOLDING//JOURNAL OF CHEMICAL THEORY AND COMPUTATION//JOURNAL OF COMPUTATIONAL CHEMISTRY
9 3076 PEPTIDE DEFORMYLASE//ENOYL ACP REDUCTASE//ACYL CARRIER PROTEIN
10 4016 O BETA D GLUCOSIDES//CALCULATION OF BIOLOGICAL ACTIVITY//COMPUTER AIDED PREDICTION

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