Class information for:
Level 1: JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES//REACTION PREDICTION//REACTION CLASSIFICATION

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
9684 1131 27.6 37%


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
3226 2             JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES//IUPAC POLYMER DIVISION//LIMS 2026
9684 1                   JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES//REACTION PREDICTION//REACTION CLASSIFICATION 1131

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 COMPUTER SCIENCES journal 1141297 31% 12% 345
2 REACTION PREDICTION authKW 121483 1% 75% 6
3 REACTION CLASSIFICATION authKW 107988 0% 100% 4
4 AIPHOS authKW 80991 0% 100% 3
5 RETROSYNTHESIS authKW 66133 1% 35% 7
6 ATOM TO ATOM MAPPING authKW 53994 0% 100% 2
7 BOND CENTRALITY authKW 53994 0% 100% 2
8 CENTRE ACCESSIBILITY authKW 53994 0% 100% 2
9 COMPUTER ASSISTED SYNTHESIS DESIGN authKW 53994 0% 100% 2
10 FAK PRIRODOVEDECKA KATEDRA ORGAN CHEM address 53994 0% 100% 2

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 23161 39% 0% 436
2 Chemistry, Multidisciplinary 3083 35% 0% 393
3 Information Science & Library Science 1981 7% 0% 77
4 Computer Science, Information Systems 376 5% 0% 60
5 Chemistry, Organic 373 10% 0% 110
6 Chemistry, Medicinal 314 6% 0% 64
7 Mathematical & Computational Biology 71 2% 0% 20
8 Education, Scientific Disciplines 41 1% 0% 13
9 Chemistry, Analytical 32 4% 0% 44
10 Mathematics, Interdisciplinary Applications 31 2% 0% 19

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 FAK PRIRODOVEDECKA KATEDRA ORGAN CHEM 53994 0% 100% 2
2 SYST INFORMAT CHIM 53994 0% 100% 2
3 COMP CHEM 29461 2% 5% 24
4 ARTIFICIAL INTELLIGENCE SYST 26997 0% 100% 1
5 CROSSFIRE SERV 26997 0% 100% 1
6 ESA CNRS7096 26997 0% 100% 1
7 ESIL ES2I 26997 0% 100% 1
8 FAK CHEM TECHNOL KATEDRA MATEMAT 26997 0% 100% 1
9 FAKTAD CHEM FIZYCZNEJ 26997 0% 100% 1
10 GDR 1093 26997 0% 100% 1

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 COMPUTER SCIENCES 1141297 31% 12% 345
2 DATABASE 42620 2% 6% 28
3 DATABASE-THE MAGAZINE OF ELECTRONIC DATABASE REVIEWS 16193 0% 20% 3
4 JOURNAL OF CHEMICAL INFORMATION AND MODELING 14554 4% 1% 41
5 COMPUTERS & CHEMISTRY 6181 1% 2% 15
6 ONLINE 4481 1% 1% 12
7 JOURNAL OF MOLECULAR GRAPHICS 4406 1% 3% 6
8 ONLINE REVIEW 3220 0% 2% 5
9 RECUEIL DES TRAVAUX CHIMIQUES DES PAYS-BAS-JOURNAL OF THE ROYAL NETHERLANDS CHEMICAL SOCIETY 3061 1% 1% 13
10 KEMISK TIDSKRIFT 2630 0% 5% 2

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 REACTION PREDICTION 121483 1% 75% 6 Search REACTION+PREDICTION Search REACTION+PREDICTION
2 REACTION CLASSIFICATION 107988 0% 100% 4 Search REACTION+CLASSIFICATION Search REACTION+CLASSIFICATION
3 AIPHOS 80991 0% 100% 3 Search AIPHOS Search AIPHOS
4 RETROSYNTHESIS 66133 1% 35% 7 Search RETROSYNTHESIS Search RETROSYNTHESIS
5 ATOM TO ATOM MAPPING 53994 0% 100% 2 Search ATOM+TO+ATOM+MAPPING Search ATOM+TO+ATOM+MAPPING
6 BOND CENTRALITY 53994 0% 100% 2 Search BOND+CENTRALITY Search BOND+CENTRALITY
7 CENTRE ACCESSIBILITY 53994 0% 100% 2 Search CENTRE+ACCESSIBILITY Search CENTRE+ACCESSIBILITY
8 COMPUTER ASSISTED SYNTHESIS DESIGN 53994 0% 100% 2 Search COMPUTER+ASSISTED+SYNTHESIS+DESIGN Search COMPUTER+ASSISTED+SYNTHESIS+DESIGN
9 MOLECULAR CENTRALITY 53994 0% 100% 2 Search MOLECULAR+CENTRALITY Search MOLECULAR+CENTRALITY
10 REACTION DATABASE 53994 0% 100% 2 Search REACTION+DATABASE Search REACTION+DATABASE

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 WARR, WA , (2014) A SHORT REVIEW OF CHEMICAL REACTION DATABASE SYSTEMS, COMPUTER-AIDED SYNTHESIS DESIGN, REACTION PREDICTION AND SYNTHETIC FEASIBILITY.MOLECULAR INFORMATICS. VOL. 33. ISSUE 6-7. P. 469-476 74 74% 10
2 WARR, WA , (2011) REPRESENTATION OF CHEMICAL STRUCTURES.WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. VOL. 1. ISSUE 4. P. 557-579 91 47% 19
3 FIC, G , NOWAK, G , (2005) THE CSB APPROACH TO PREDICTION OF CHEMICAL REACTIONS.CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS. VOL. 75. ISSUE 2. P. 137 -148 49 100% 1
4 COOK, A , JOHNSON, AP , LAW, J , MIRZAZADEH, M , RAVITZ, O , SIMON, A , (2012) COMPUTER-AIDED SYNTHESIS DESIGN: 40 YEARS ON.WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. VOL. 2. ISSUE 1. P. 79 -107 48 79% 8
5 UGI, I , BAUER, J , BLEY, K , DENGLER, A , DIETZ, A , FONTAIN, E , GRUBER, B , HERGES, R , KNAUER, M , REITSAM, K , ET AL (1993) COMPUTER-ASSISTED SOLUTION OF CHEMICAL PROBLEMS - THE HISTORICAL DEVELOPMENT AND THE PRESENT STATE-OF-THE-ART OF A NEW DISCIPLINE OF CHEMISTRY.ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. VOL. 32. ISSUE 2. P. 201-227 70 75% 53
6 ZIBAREVA, IV , (2012) CHEMISTRY DATABASES OF THE SCIENTIFIC AND TECHNICAL NETWORK STN INTERNATIONAL.RUSSIAN CHEMICAL BULLETIN. VOL. 61. ISSUE 3. P. 682 -722 71 42% 0
7 TODD, MH , (2005) COMPUTER-AIDED ORGANIC SYNTHESIS.CHEMICAL SOCIETY REVIEWS. VOL. 34. ISSUE 3. P. 247-266 41 79% 42
8 NOWAK, G , FIC, G , (2011) COMPUTER AIDED DESIGN OF COMPLEX MULTISTEP ORGANIC SYNTHESES. PRESENT AND FUTURE DIRECTIONS.PRZEMYSL CHEMICZNY. VOL. 90. ISSUE 1. P. 78 -83 34 83% 0
9 KRAUT, H , EIBLMAIER, J , GRETHE, G , LOW, P , MATUSZCZYK, H , SALLER, H , (2013) ALGORITHM FOR REACTION CLASSIFICATION.JOURNAL OF CHEMICAL INFORMATION AND MODELING. VOL. 53. ISSUE 11. P. 2884-2895 35 70% 7
10 ZEFIROV, NS , TRATCH, SS , MOLCHANOVA, MS , (2002) THE ARGENT PROGRAM SYSTEM: A SECOND-GENERATION TOOL AIMED AT COMBINATORIAL SEARCH FOR NEW TYPES OF ORGANIC REACTIONS. 1. MAIN CONCEPTS AND POTENTIALITIES.MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY. VOL. . ISSUE 46. P. 253-273 38 88% 1

Classes with closest relation at Level 1


Rank Class id link
1 19358 JOURNAL OF CHEMINFORMATICS//CHEMICAL ONTOLOGY//ELECTRONIC LABORATORY NOTEBOOK
2 1013 LIFE SCI INFORMAT//B IT//LIMES PROGRAM UNIT CHEM BIOL MED CHEM
3 5812 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES//COMPUTER ASSISTED STRUCTURE ELUCIDATION//ANALYTICA CHIMICA ACTA-COMPUTER TECHNIQUES AND OPTIMIZATION
4 34036 CULTURAL CREAT DESIGN//IUPAC POLYMER DIVISION//IUPAC CHEMICAL NOMENCLATURE AND STRUCTURE REPRESENTATION DIVISION
5 23828 P GRAPH//SEPARATION NETWORK//MINIMAL REACTIONS
6 16555 ONLINE REVIEW//DATABASE//ONLINE
7 32899 ACCESS TO DIGITAL DOCUMENTS//BUSINESS CASE STUDIES//DATABASES IN THE HUMANITIES
8 24280 JOURNAL OF MOLECULAR GRAPHICS//SPACE FILLING MOLECULAR MODELS//DESK TOP MOLECULAR MODELING
9 15297 STEREOISOGRAM//FULL NON RIGID GROUP//RS STEREOISOMERIC GROUP
10 3992 KEKULE STRUCTURE//BENZENOID HYDROCARBONS//CYCLIC CONJUGATION

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