Class information for:
Level 1: LIFE SCI INFORMAT//B IT//LIMES PROGRAM UNIT CHEM BIOL MED CHEM

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
1013 2903 39.5 72%


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

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 LIFE SCI INFORMAT address 1627453 8% 65% 238
2 B IT address 1553194 7% 77% 191
3 LIMES PROGRAM UNIT CHEM BIOL MED CHEM address 1312423 5% 80% 156
4 JOURNAL OF CHEMICAL INFORMATION AND MODELING journal 1159671 20% 19% 585
5 JOURNAL OF CHEMINFORMATICS journal 511686 5% 37% 132
6 SIMILARITY SEARCHING authKW 344528 2% 61% 54
7 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES journal 267942 9% 10% 268
8 LIBRARY DESIGN authKW 250346 2% 48% 50
9 MOLECULAR SIMILARITY authKW 247414 3% 31% 75
10 CHEMINFORMATICS authKW 234481 2% 31% 71

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 87713 47% 1% 1355
2 Chemistry, Medicinal 72336 47% 1% 1351
3 Computer Science, Information Systems 27049 25% 0% 734
4 Chemistry, Multidisciplinary 9115 37% 0% 1075
5 Mathematical & Computational Biology 5400 8% 0% 237
6 Pharmacology & Pharmacy 2168 18% 0% 522
7 Biochemical Research Methods 1067 7% 0% 211
8 Biophysics 529 6% 0% 173
9 Chemistry, Applied 411 4% 0% 125
10 Biochemistry & Molecular Biology 406 14% 0% 415

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 1627453 8% 65% 238
2 B IT 1553194 7% 77% 191
3 LIMES PROGRAM UNIT CHEM BIOL MED CHEM 1312423 5% 80% 156
4 LIMES PROGRAM 94644 0% 75% 12
5 DECS GLOBAL COMPOUND SCI 84134 0% 100% 8
6 LIMES PROGRAMUNIT CHEM BIOL MED CHEM 74784 0% 89% 8
7 UNIT CHEM BIOL MED CHEMB IT 73617 0% 100% 7
8 BONN AACHEN INT INFORMAT TECHNOL 65813 0% 48% 13
9 LIMES PROGRAM UNIT 63100 0% 100% 6
10 UNILEVER MOL SCI INFORMAT 56926 1% 17% 32

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 1159671 20% 19% 585
2 JOURNAL OF CHEMINFORMATICS 511686 5% 37% 132
3 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 267942 9% 10% 268
4 MOLECULAR INFORMATICS 181141 3% 19% 92
5 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 86963 4% 7% 121
6 DRUG DISCOVERY TODAY 68994 4% 5% 127
7 COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING 29285 2% 5% 61
8 QSAR & COMBINATORIAL SCIENCE 25727 1% 6% 39
9 MOLECULAR DIVERSITY 19244 1% 4% 42
10 PERSPECTIVES IN DRUG DISCOVERY AND DESIGN 18539 1% 11% 16

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 SIMILARITY SEARCHING 344528 2% 61% 54 Search SIMILARITY+SEARCHING Search SIMILARITY+SEARCHING
2 LIBRARY DESIGN 250346 2% 48% 50 Search LIBRARY+DESIGN Search LIBRARY+DESIGN
3 MOLECULAR SIMILARITY 247414 3% 31% 75 Search MOLECULAR+SIMILARITY Search MOLECULAR+SIMILARITY
4 CHEMINFORMATICS 234481 2% 31% 71 Search CHEMINFORMATICS Search CHEMINFORMATICS
5 ACTIVITY CLIFFS 222530 1% 92% 23 Search ACTIVITY+CLIFFS Search ACTIVITY+CLIFFS
6 CHEMICAL SPACE 207164 2% 39% 51 Search CHEMICAL+SPACE Search CHEMICAL+SPACE
7 CHEMOINFORMATICS 187426 2% 26% 69 Search CHEMOINFORMATICS Search CHEMOINFORMATICS
8 VIRTUAL SCREENING 140511 6% 8% 166 Search VIRTUAL+SCREENING Search VIRTUAL+SCREENING
9 COMPOUND SELECTION 139188 1% 88% 15 Search COMPOUND+SELECTION Search COMPOUND+SELECTION
10 ACTIVITY LANDSCAPES 136717 0% 100% 13 Search ACTIVITY+LANDSCAPES Search ACTIVITY+LANDSCAPES

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 GORSE, AD , (2006) DIVERSITY IN MEDICINAL CHEMISTRY SPACE.CURRENT TOPICS IN MEDICINAL CHEMISTRY. VOL. 6. ISSUE 1. P. 3-18 158 76% 46
2 WILLETT, P , (2009) SIMILARITY METHODS IN CHEMOINFORMATICS.ANNUAL REVIEW OF INFORMATION SCIENCE AND TECHNOLOGY. VOL. 43. ISSUE . P. 3 -71 178 59% 19
3 GEPPERT, H , VOGT, M , BAJORATH, J , (2010) CURRENT TRENDS IN LIGAND-BASED VIRTUAL SCREENING: MOLECULAR REPRESENTATIONS, DATA MINING METHODS, NEW APPLICATION AREAS, AND PERFORMANCE EVALUATION.JOURNAL OF CHEMICAL INFORMATION AND MODELING. VOL. 50. ISSUE 2. P. 205-216 78 79% 105
4 REYMOND, JL , (2015) THE CHEMICAL SPACE PROJECT.ACCOUNTS OF CHEMICAL RESEARCH. VOL. 48. ISSUE 3. P. 722 -730 62 76% 32
5 ROGERS, D , HAHN, M , (2010) EXTENDED-CONNECTIVITY FINGERPRINTS.JOURNAL OF CHEMICAL INFORMATION AND MODELING. VOL. 50. ISSUE 5. P. 742-754 55 63% 483
6 STUMPFE, D , BAJORATH, J , (2011) SIMILARITY SEARCHING.WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. VOL. 1. ISSUE 2. P. 260 -282 77 84% 19
7 DUBOIS, J , BOURG, S , VRAIN, C , MORIN-ALLORY, L , (2008) COLLECTIONS OF COMPOUNDS - HOW TO DEAL WITH THEM?.CURRENT COMPUTER-AIDED DRUG DESIGN. VOL. 4. ISSUE 3. P. 156-168 92 78% 2
8 HU, Y , STUMPFE, D , BAJORATH, J , (2016) COMPUTATIONAL EXPLORATION OF MOLECULAR SCAFFOLDS IN MEDICINAL CHEMISTRY.JOURNAL OF MEDICINAL CHEMISTRY. VOL. 59. ISSUE 9. P. 4062 -4076 52 87% 4
9 MUEGGE, I , MUKHERJEE, P , (2016) AN OVERVIEW OF MOLECULAR FINGERPRINT SIMILARITY SEARCH IN VIRTUAL SCREENING.EXPERT OPINION ON DRUG DISCOVERY. VOL. 11. ISSUE 2. P. 137 -148 62 71% 4
10 GEPPERT, H , BAJORATH, J , (2010) ADVANCES IN 2D FINGERPRINT SIMILARITY SEARCHING.EXPERT OPINION ON DRUG DISCOVERY. VOL. 5. ISSUE 6. P. 529-542 67 96% 6

Classes with closest relation at Level 1


Rank Class id link
1 1353 JOURNAL OF CHEMICAL INFORMATION AND MODELING//VIRTUAL SCREENING//JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
2 6856 NETWORK PHARMACOLOGY//DRUG REPOSITIONING//SYSTEMS PHARMACOLOGY
3 21935 COMPOUND MANAGEMENT//ACOUSTIC DROPLET EJECTION//ASSAY READY PLATES
4 16265 DIVERSITY ORIENTED SYNTHESIS//SMALL MOLECULE MICROARRAYS//ICCB
5 11825 FRAGMENT SCREENING//FRAGMENT BASED DRUG DISCOVERY//NMR SCREENING
6 17560 K TOVS SOLUT CHEM//AQUEOUS SOLUBILITY//GENERAL SOLUBILITY EQUATION
7 20325 LOGBB//BLOOD BRAIN PARTITIONING//PAMPA BBB
8 9684 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES//REACTION PREDICTION//REACTION CLASSIFICATION
9 19358 JOURNAL OF CHEMINFORMATICS//CHEMICAL ONTOLOGY//ELECTRONIC LABORATORY NOTEBOOK
10 13497 COMFA//MULTIDIMENSIONAL QSAR//3D QSAR

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