Class information for:
Level 1: CHEM BIOACT//UNIDAD INVEST DISENO FARMACOS CONECTIVIDAD MOL//UNIV CIENCIA MOL

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
7367 1376 43.6 57%


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
7367 1                   CHEM BIOACT//UNIDAD INVEST DISENO FARMACOS CONECTIVIDAD MOL//UNIV CIENCIA MOL 1376

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 CHEM BIOACT address 1081120 6% 59% 82
2 UNIDAD INVEST DISENO FARMACOS CONECTIVIDAD MOL address 798818 3% 86% 42
3 UNIV CIENCIA MOL address 631765 5% 46% 62
4 TOPOLOGICAL INDICES authKW 496253 6% 28% 79
5 MOL CONNECT DRUG DESIGN UNIT address 491584 2% 92% 24
6 TOMOCOMD CARDD SOFTWARE authKW 473376 2% 89% 24
7 MOLECULAR TOPOLOGY authKW 412789 3% 47% 40
8 TECHNOL PROD MANAGEMENT address 362423 2% 78% 21
9 TOPS MODE authKW 348276 1% 83% 19
10 UNIT COMP AIDED MOL BIOSILICO DISCOVERY BIOINFO address 268951 1% 61% 20

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 12463 26% 0% 356
2 Chemistry, Medicinal 8466 24% 0% 324
3 Chemistry, Multidisciplinary 3114 32% 0% 440
4 Mathematical & Computational Biology 2543 8% 0% 112
5 Mathematics, Interdisciplinary Applications 755 6% 0% 79
6 Chemistry, Organic 399 9% 0% 127
7 Biochemical Research Methods 325 6% 0% 83
8 Pharmacology & Pharmacy 318 11% 0% 156
9 Toxicology 250 5% 0% 66
10 Biochemistry & Molecular Biology 127 13% 0% 174

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 CHEM BIOACT 1081120 6% 59% 82
2 UNIDAD INVEST DISENO FARMACOS CONECTIVIDAD MOL 798818 3% 86% 42
3 UNIV CIENCIA MOL 631765 5% 46% 62
4 MOL CONNECT DRUG DESIGN UNIT 491584 2% 92% 24
5 TECHNOL PROD MANAGEMENT 362423 2% 78% 21
6 UNIT COMP AIDED MOL BIOSILICO DISCOVERY BIOINFO 268951 1% 61% 20
7 CAMD BIR UNIT 226931 1% 68% 15
8 UNIDAD INVEST DISENO FARM CONECTIVIDAD MOL 220586 1% 76% 13
9 REQUIMTE CHEM BIOCHEM 197680 1% 64% 14
10 FINANCIAL TRIBUTARY LAW AREA 179735 1% 90% 9

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 199053 12% 6% 159
2 CURRENT COMPUTER-AIDED DRUG DESIGN 50965 2% 8% 28
3 SAR AND QSAR IN ENVIRONMENTAL RESEARCH 49657 3% 5% 42
4 CURRENT BIOINFORMATICS 26514 2% 5% 23
5 QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS 25827 2% 5% 24
6 MOLECULAR DIVERSITY 13267 2% 3% 24
7 CURRENT TOPICS IN MEDICINAL CHEMISTRY 11948 3% 2% 35
8 MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY 5930 1% 1% 20
9 JOURNAL OF CHEMICAL INFORMATION AND MODELING 4786 2% 1% 26
10 JOURNAL OF MATHEMATICAL CHEMISTRY 4094 2% 1% 22

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 TOPOLOGICAL INDICES 496253 6% 28% 79 Search TOPOLOGICAL+INDICES Search TOPOLOGICAL+INDICES
2 TOMOCOMD CARDD SOFTWARE 473376 2% 89% 24 Search TOMOCOMD+CARDD+SOFTWARE Search TOMOCOMD+CARDD+SOFTWARE
3 MOLECULAR TOPOLOGY 412789 3% 47% 40 Search MOLECULAR+TOPOLOGY Search MOLECULAR+TOPOLOGY
4 TOPS MODE 348276 1% 83% 19 Search TOPS+MODE Search TOPS+MODE
5 QUANTITATIVE CONTRIBUTIONS 266277 1% 100% 12 Search QUANTITATIVE+CONTRIBUTIONS Search QUANTITATIVE+CONTRIBUTIONS
6 MOLECULAR CONNECTIVITY 249975 2% 43% 26 Search MOLECULAR+CONNECTIVITY Search MOLECULAR+CONNECTIVITY
7 MULTI TARGET QSAR 228234 1% 86% 12 Search MULTI+TARGET+QSAR Search MULTI+TARGET+QSAR
8 SPECTRAL MOMENTS 214699 2% 32% 30 Search SPECTRAL+MOMENTS Search SPECTRAL+MOMENTS
9 QSAR 213326 15% 5% 206 Search QSAR Search QSAR
10 TOMOCOMD CARDD 178991 1% 73% 11 Search TOMOCOMD+CARDD Search TOMOCOMD+CARDD

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 SPECK-PLANCHE, A , CORDEIRO, MNDS , (2013) EVOLUTION OF GRAPH THEORY-BASED QSAR METHODS AND THEIR APPLICATIONS TO THE SEARCH FOR NEW ANTIBACTERIAL AGENTS.CURRENT TOPICS IN MEDICINAL CHEMISTRY. VOL. 13. ISSUE 24. P. 3101 -3117 101 78% 1
2 SPECK-PLANCHE, A , LUAN, F , CORDEIRO, MNDS , (2012) ABELSON TYROSINE-PROTEIN KINASE 1 AS PRINCIPAL TARGET FOR DRUG DISCOVERY AGAINST LEUKEMIAS. ROLE OF THE CURRENT COMPUTER-AIDED DRUG DESIGN METHODOLOGIES.CURRENT TOPICS IN MEDICINAL CHEMISTRY. VOL. 12. ISSUE 24. P. 2745 -2762 89 61% 2
3 SPECK-PLANCHE, A , CORDEIRO, MNDS , (2012) COMPUTER-AIDED DRUG DESIGN METHODOLOGIES TOWARD THE DESIGN OF ANTI-HEPATITIS C AGENTS.CURRENT TOPICS IN MEDICINAL CHEMISTRY. VOL. 12. ISSUE 8. P. 802 -813 68 65% 13
4 KLEANDROVA, VV , SPECK-PLANCHE, A , (2012) QSAR AND MOLECULAR DOCKING TECHNIQUES FOR THE DISCOVERY OF POTENT MONOAMINE OXIDASE B INHIBITORS: COMPUTER-AIDED GENERATION OF NEW RASAGILINE BIOISOSTERES.CURRENT TOPICS IN MEDICINAL CHEMISTRY. VOL. 12. ISSUE 16. P. 1734 -1747 77 57% 12
5 GARCIA-DOMENECH, R , GALVEZ, J , DE JULIAN-ORTIZ, JV , POGLIANI, L , (2008) SOME NEW TRENDS IN CHEMICAL GRAPH THEORY.CHEMICAL REVIEWS. VOL. 108. ISSUE 3. P. 1127 -1169 75 54% 91
6 ESTRADA, E , URIARTE, E , (2001) RECENT ADVANCES ON THE ROLE OF TOPOLOGICAL INDICES IN DRUG DISCOVERY RESEARCH.CURRENT MEDICINAL CHEMISTRY. VOL. 8. ISSUE 13. P. 1573 -1588 72 62% 183
7 GONZALEZ-DIAZ, H , ROMARIS, F , DUARDO-SANCHEZ, A , PEREZ-MONTOTO, LG , PRADO-PRADO, F , PATLEWICZ, G , UBEIRA, FM , (2010) PREDICTING DRUGS AND PROTEINS IN PARASITE INFECTIONS WITH TOPOLOGICAL INDICES OF COMPLEX NETWORKS: THEORETICAL BACKGROUNDS, APPLICATIONS AND LEGAL ISSUES.CURRENT PHARMACEUTICAL DESIGN. VOL. 16. ISSUE 24. P. 2737 -2764 61 63% 32
8 ESTRADA, E , PATLEWICZ, G , URIARTE, E , (2003) FROM MOLECULAR GRAPHS TO DRUGS. A REVIEW ON THE USE OF TOPOLOGICAL INDICES IN DRUG DESIGN AND DISCOVERY.INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY. VOL. 42. ISSUE 6. P. 1315 -1329 76 62% 23
9 SPECK-PLANCHE, A , KLEANDROVA, VV , CORDEIRO, MNDS , (2013) NEW INSIGHTS TOWARD THE DISCOVERY OF ANTIBACTERIAL AGENTS: MULTI-TASKING QSBER MODEL FOR THE SIMULTANEOUS PREDICTION OF ANTI-TUBERCULOSIS ACTIVITY AND TOXICOLOGICAL PROFILES OF DRUGS.EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES. VOL. 48. ISSUE 4-5. P. 812 -818 39 85% 21
10 GALVEZ, J , GALVEZ-LLOMPART, M , GARCIA-DOMENECH, R , (2012) MOLECULAR TOPOLOGY AS A NOVEL APPROACH FOR DRUG DISCOVERY.EXPERT OPINION ON DRUG DISCOVERY. VOL. 7. ISSUE 2. P. 133-153 49 74% 2

Classes with closest relation at Level 1


Rank Class id link
1 32220 CHEMICAL STRUCTURE MATRIX//OPTIMAL TOPOLOGICAL INDICES//THEORETICAL INFORMATION INDICES
2 3807 QSPR//QSAR//CORAL SOFTWARE
3 1029 WIENER INDEX//MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY//SZEGED INDEX
4 13497 COMFA//MULTIDIMENSIONAL QSAR//3D QSAR
5 12242 GRAPHICAL REPRESENTATION//ALIGNMENT FREE//ALIGNMENT FREE METHOD
6 7733 TETRAHYMENA PYRIFORMIS//SAR AND QSAR IN ENVIRONMENTAL RESEARCH//QSAR
7 10922 COMPUTATIONAL TOXICOLOGY//ICH M7//RODENT CARCINOGENICITY
8 6708 RETENTION INDICES//QUANTITATIVE STRUCTURE RETENTION RELATIONSHIPS//QSRR
9 17560 K TOVS SOLUT CHEM//AQUEOUS SOLUBILITY//GENERAL SOLUBILITY EQUATION
10 34218 CELL OPENER//HIGH RESILIENCE PU FOAM//OPEN CELL CONTENT

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