Class information for:
Level 1: QSPR//QSAR//CORAL SOFTWARE

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
3807 1902 38.6 69%


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
1068 2             WIENER INDEX//QSAR//MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY 9972
3807 1                   QSPR//QSAR//CORAL SOFTWARE 1902

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 QSPR authKW 1041161 13% 26% 251
2 QSAR authKW 821183 25% 11% 475
3 CORAL SOFTWARE authKW 799050 3% 89% 56
4 OPTIMAL DESCRIPTOR authKW 574126 2% 87% 41
5 DRUG THEORET CHEMINFORMAT address 572394 4% 45% 79
6 SMILES authKW 510994 4% 48% 67
7 MIA QSAR authKW 321052 1% 100% 20
8 QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIP authKW 297427 3% 29% 64
9 ENVIRONM CHEMOMETR address 296639 2% 60% 31
10 QSAR UNIT ENVIRONM CHEM ECOTOXICOL address 269443 2% 52% 32

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 17077 26% 0% 490
2 Chemistry, Medicinal 15623 27% 0% 515
3 Chemistry, Multidisciplinary 4413 32% 0% 615
4 Mathematical & Computational Biology 2208 7% 0% 124
5 Mathematics, Interdisciplinary Applications 2103 8% 0% 151
6 Automation & Control Systems 1665 6% 0% 123
7 Statistics & Probability 1187 7% 0% 125
8 Computer Science, Artificial Intelligence 1120 7% 0% 131
9 Chemistry, Analytical 1105 12% 0% 221
10 Instruments & Instrumentation 622 6% 0% 123

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 DRUG THEORET CHEMINFORMAT 572394 4% 45% 79
2 ENVIRONM CHEMOMETR 296639 2% 60% 31
3 QSAR UNIT ENVIRONM CHEM ECOTOXICOL 269443 2% 52% 32
4 INTERDISCIPLINARY NANOTOX 255617 3% 27% 60
5 ITODYS 1 123477 1% 77% 10
6 MED PHARMACEUT CHEM 80883 3% 10% 49
7 MILANO CHEMOMETR QSAR GRP 59533 1% 23% 16
8 ALGORITHM ENGN 57328 0% 71% 5
9 PHARMACEUT DATA EXPLORAT 56177 0% 50% 7
10 SCI YOUNG EARCHERS CLUB 51367 0% 80% 4

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 QSAR & COMBINATORIAL SCIENCE 126743 4% 11% 70
2 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 57997 5% 4% 101
3 CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS 51494 5% 3% 101
4 SAR AND QSAR IN ENVIRONMENTAL RESEARCH 50899 3% 6% 50
5 MOLECULAR INFORMATICS 35542 2% 7% 33
6 JOURNAL OF CHEMICAL INFORMATION AND MODELING 35500 4% 3% 83
7 CURRENT COMPUTER-AIDED DRUG DESIGN 22743 1% 6% 22
8 MEDICINAL CHEMISTRY RESEARCH 16351 3% 2% 57
9 MOLECULAR DIVERSITY 11253 1% 3% 26
10 CHEMICAL BIOLOGY & DRUG DESIGN 11187 2% 2% 34

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 QSPR 1041161 13% 26% 251 Search QSPR Search QSPR
2 QSAR 821183 25% 11% 475 Search QSAR Search QSAR
3 CORAL SOFTWARE 799050 3% 89% 56 Search CORAL+SOFTWARE Search CORAL+SOFTWARE
4 OPTIMAL DESCRIPTOR 574126 2% 87% 41 Search OPTIMAL+DESCRIPTOR Search OPTIMAL+DESCRIPTOR
5 SMILES 510994 4% 48% 67 Search SMILES Search SMILES
6 MIA QSAR 321052 1% 100% 20 Search MIA+QSAR Search MIA+QSAR
7 QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIP 297427 3% 29% 64 Search QUANTITATIVE+STRUCTURE+PROPERTY+RELATIONSHIP Search QUANTITATIVE+STRUCTURE+PROPERTY+RELATIONSHIP
8 BALANCE OF CORRELATIONS 240789 1% 100% 15 Search BALANCE+OF+CORRELATIONS Search BALANCE+OF+CORRELATIONS
9 APPLICABILITY DOMAIN 223288 2% 35% 40 Search APPLICABILITY+DOMAIN Search APPLICABILITY+DOMAIN
10 REPLACEMENT METHOD 213442 1% 53% 25 Search REPLACEMENT+METHOD Search REPLACEMENT+METHOD

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 YOUSEFINEJAD, S , HEMMATEENEJAD, B , (2015) CHEMOMETRICS TOOLS IN QSAR/QSPR STUDIES: A HISTORICAL PERSPECTIVE.CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS. VOL. 149. ISSUE . P. 177 -204 199 40% 5
2 OJHA, PK , MITRA, I , DAS, RN , ROY, K , (2011) FURTHER EXPLORING R(M)(2) METRICS FOR VALIDATION OF QSPR MODELS.CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS. VOL. 107. ISSUE 1. P. 194 -205 65 55% 174
3 LE, T , EPA, VC , BURDEN, FR , WINKLER, DA , (2012) QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP MODELING OF DIVERSE MATERIALS PROPERTIES.CHEMICAL REVIEWS. VOL. 112. ISSUE 5. P. 2889-2919 82 46% 97
4 ROY, K , MITRA, I , (2012) ON THE USE OF THE METRIC R(M)(2) AS AN EFFECTIVE TOOL FOR VALIDATION OF QSAR MODELS IN COMPUTATIONAL DRUG DESIGN AND PREDICTIVE TOXICOLOGY.MINI-REVIEWS IN MEDICINAL CHEMISTRY. VOL. 12. ISSUE 6. P. 491 -504 69 56% 24
5 GOODARZI, M , DEJAEGHER, B , VANDER HEYDEN, Y , (2012) FEATURE SELECTION METHODS IN QSAR STUDIES.JOURNAL OF AOAC INTERNATIONAL. VOL. 95. ISSUE 3. P. 636-651 72 51% 19
6 KATRITZKY, AR , KUANAR, M , SLAVOV, S , HALL, CD , KARELSON, M , KAHN, I , DOBCHEV, DA , (2010) QUANTITATIVE CORRELATION OF PHYSICAL AND CHEMICAL PROPERTIES WITH CHEMICAL STRUCTURE: UTILITY FOR PREDICTION.CHEMICAL REVIEWS. VOL. 110. ISSUE 10. P. 5714 -5789 137 20% 176
7 VESELINOVIC, AM , VESELINOVIC, JB , ZIVKOVIC, JV , NIKOLIC, GM , (2015) APPLICATION OF SMILES NOTATION BASED OPTIMAL DESCRIPTORS IN DRUG DISCOVERY AND DESIGN.CURRENT TOPICS IN MEDICINAL CHEMISTRY. VOL. 15. ISSUE 18. P. 1768 -1779 44 77% 2
8 XU, J , WANG, L , ZHANG, H , SHEN, XL , LIANG, GJ , (2012) QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIPS STUDIES ON FREE-RADICAL POLYMERIZATION CHAIN-TRANSFER CONSTANTS FOR STYRENE.JOURNAL OF APPLIED POLYMER SCIENCE. VOL. 123. ISSUE 1. P. 356 -364 41 89% 3
9 TOROPOV, AA , RALLO, R , TOROPOVA, AP , (2015) USE OF QUASI-SMILES AND MONTE CARLO OPTIMIZATION TO DEVELOP QUANTITATIVE FEATURE PROPERTY/ACTIVITY RELATIONSHIPS (QFPR/QFAR) FOR NANOMATERIALS.CURRENT TOPICS IN MEDICINAL CHEMISTRY. VOL. 15. ISSUE 18. P. 1837 -1844 37 86% 1
10 BARIGYE, SJ , FREITAS, MP , (2015) 2D-DISCRETE FOURIER TRANSFORM: GENERALIZATION OF THE MIA-QSAR STRATEGY IN MOLECULAR MODELING.CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS. VOL. 143. ISSUE . P. 79 -84 33 92% 2

Classes with closest relation at Level 1


Rank Class id link
1 13497 COMFA//MULTIDIMENSIONAL QSAR//3D QSAR
2 7367 CHEM BIOACT//UNIDAD INVEST DISENO FARMACOS CONECTIVIDAD MOL//UNIV CIENCIA MOL
3 7733 TETRAHYMENA PYRIFORMIS//SAR AND QSAR IN ENVIRONMENTAL RESEARCH//QSAR
4 17560 K TOVS SOLUT CHEM//AQUEOUS SOLUBILITY//GENERAL SOLUBILITY EQUATION
5 16108 FLASH POINT//FLAMMABILITY LIMITS//20 L APPARATUS
6 10922 COMPUTATIONAL TOXICOLOGY//ICH M7//RODENT CARCINOGENICITY
7 16709 LINEAR SOLVATION ENERGY THEORY//POLYCHLORINATED DIPHENYL ETHERS//MOLAR HEAT CAPACITY AT CONSTANT PRESSURE C P C M
8 19401 PRINCIPAL PROPERTIES//QSAM//QUANTITATIVE SEQUENCE ACTIVITY MODEL
9 32651 CATEDRA FARMACOTECNIA 1//MULTIPLE LINEAR REGRESSION TECHNIQUE//POLYOXYETHYLENE ESTERS
10 6708 RETENTION INDICES//QUANTITATIVE STRUCTURE RETENTION RELATIONSHIPS//QSRR

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