Class information for:
Level 1: JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES//COMPUTER ASSISTED STRUCTURE ELUCIDATION//ANALYTICA CHIMICA ACTA-COMPUTER TECHNIQUES AND OPTIMIZATION

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
5812 1572 26.1 44%


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
2605 2             ADV SPECT//OPEN PATH FTIR//APPLIED SPECTROSCOPY 3594
5812 1                   JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES//COMPUTER ASSISTED STRUCTURE ELUCIDATION//ANALYTICA CHIMICA ACTA-COMPUTER TECHNIQUES AND OPTIMIZATION 1572

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 203872 11% 6% 172
2 COMPUTER ASSISTED STRUCTURE ELUCIDATION authKW 146878 1% 69% 11
3 ANALYTICA CHIMICA ACTA-COMPUTER TECHNIQUES AND OPTIMIZATION journal 89495 1% 21% 22
4 COMPUTER ASSISTED INTERPRETATION authKW 79304 0% 58% 7
5 RULE KNOWLEDGEBASE authKW 77691 0% 100% 4
6 STRUCTURE VERIFICATION authKW 77687 0% 67% 6
7 LIBRARY SEARCH authKW 66962 1% 34% 10
8 SISTEMAT authKW 58268 0% 100% 3
9 CHEMICAL SHIFT PREDICTION authKW 51098 1% 26% 10
10 MOSCOW address 47358 1% 24% 10

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 Chemistry, Analytical 13706 40% 0% 631
2 Computer Science, Interdisciplinary Applications 5683 17% 0% 261
3 Spectroscopy 3986 14% 0% 224
4 Instruments & Instrumentation 1515 10% 0% 164
5 Mathematics, Interdisciplinary Applications 1352 7% 0% 111
6 Chemistry, Multidisciplinary 1348 21% 0% 331
7 Automation & Control Systems 889 5% 0% 83
8 Computer Science, Artificial Intelligence 759 6% 0% 99
9 Statistics & Probability 620 5% 0% 84
10 Chemistry, Medicinal 204 4% 0% 65

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 MOSCOW 47358 1% 24% 10
2 LARTIC 46608 0% 40% 6
3 COMP CHEM PHYS CHEM 38846 0% 100% 2
4 ZHV MOLEKULSPEKTROSKOPIE 38846 0% 100% 2
5 NOVOSIBIRSK ORGAN CHEM 34960 1% 9% 20
6 CHEM TECHNOL MATH 28246 0% 36% 4
7 CHEMAC 25896 0% 67% 2
8 125 OURCES RD 19423 0% 100% 1
9 354 FENGLIN LU 19423 0% 100% 1
10 ABT CHEMOMETRIE 19423 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 203872 11% 6% 172
2 ANALYTICA CHIMICA ACTA-COMPUTER TECHNIQUES AND OPTIMIZATION 89495 1% 21% 22
3 CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS 35264 5% 2% 76
4 ANALYTICA CHIMICA ACTA 22600 11% 1% 168
5 COMPUTERS & CHEMISTRY 12364 2% 3% 25
6 APPLIED SPECTROSCOPY 6585 3% 1% 53
7 ANALYTICAL CHEMISTRY 6197 7% 0% 108
8 MAGNETIC RESONANCE IN CHEMISTRY 5881 3% 1% 42
9 ORGANIC MAGNETIC RESONANCE 4057 1% 2% 14
10 IZVESTIYA SIBIRSKOGO OTDELENIYA AKADEMII NAUK SSSR SERIYA KHIMICHESKIKH NAUK 3484 1% 1% 14

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 COMPUTER ASSISTED STRUCTURE ELUCIDATION 146878 1% 69% 11 Search COMPUTER+ASSISTED+STRUCTURE+ELUCIDATION Search COMPUTER+ASSISTED+STRUCTURE+ELUCIDATION
2 COMPUTER ASSISTED INTERPRETATION 79304 0% 58% 7 Search COMPUTER+ASSISTED+INTERPRETATION Search COMPUTER+ASSISTED+INTERPRETATION
3 RULE KNOWLEDGEBASE 77691 0% 100% 4 Search RULE+KNOWLEDGEBASE Search RULE+KNOWLEDGEBASE
4 STRUCTURE VERIFICATION 77687 0% 67% 6 Search STRUCTURE+VERIFICATION Search STRUCTURE+VERIFICATION
5 LIBRARY SEARCH 66962 1% 34% 10 Search LIBRARY+SEARCH Search LIBRARY+SEARCH
6 SISTEMAT 58268 0% 100% 3 Search SISTEMAT Search SISTEMAT
7 CHEMICAL SHIFT PREDICTION 51098 1% 26% 10 Search CHEMICAL+SHIFT+PREDICTION Search CHEMICAL+SHIFT+PREDICTION
8 AUTO ANALYSIS 44392 0% 57% 4 Search AUTO+ANALYSIS Search AUTO+ANALYSIS
9 SPECTRA COMPARISON 44392 0% 57% 4 Search SPECTRA+COMPARISON Search SPECTRA+COMPARISON
10 GRADED CLASSIFICATION 43700 0% 75% 3 Search GRADED+CLASSIFICATION Search GRADED+CLASSIFICATION

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 ELYASHBERG, ME , WILLIAMS, A , MARTIN, GE , (2008) COMPUTER-ASSISTED STRUCTURE VERIFICATION AND ELUCIDATION TOOLS IN NMR-BASED STRUCTURE ELUCIDATION.PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY. VOL. 53. ISSUE 1-2. P. 1 -104 103 52% 64
2 ELYASHBERG, ME , (1999) EXPERT SYSTEMS FOR THE DETERMINATION OF STRUCTURES OF ORGANIC MOLECULES BY SPECTRAL METHODS.USPEKHI KHIMII. VOL. 68. ISSUE 7. P. 579 -604 86 86% 13
3 LUINGE, HJ , (1990) AUTOMATED INTERPRETATION OF VIBRATIONAL-SPECTRA.VIBRATIONAL SPECTROSCOPY. VOL. 1. ISSUE 1. P. 3 -18 69 91% 38
4 MILITAO, JSLT , EMERENCIANO, VP , FERREIRA, MJP , CABROL-BASS, D , ROUILLARD, M , (2003) STRUCTURE VALIDATION IN COMPUTER-SUPPORTED STRUCTURE ELUCIDATION: C-13 NMR SHIFT PREDICTIONS FOR STEROIDS.CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS. VOL. 67. ISSUE 1. P. 5-20 40 93% 5
5 EGHBALDAR, A , FORREST, TP , CABROL-BASS', D , (1998) DEVELOPMENT OF NEURAL NETWORKS FOR IDENTIFICATION OF STRUCTURAL FEATURES FROM MASS SPECTRAL DATA..ANALYTICA CHIMICA ACTA. VOL. 359. ISSUE 3. P. 283 -301 42 89% 19
6 DEBSKA, B , GUZOWSKA-SWIDER, B , CABROL-BASS, D , (2000) AUTOMATIC GENERATION OF KNOWLEDGE BASE FROM INFRARED SPECTRAL DATABASE FOR SUBSTRUCTURE RECOGNITION.JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES. VOL. 40. ISSUE 2. P. 330 -338 37 95% 4
7 JAKUS, V , (1992) ARTIFICIAL-INTELLIGENCE IN CHEMISTRY.COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS. VOL. 57. ISSUE 12. P. 2413 -2451 94 50% 5
8 MUNK, ME , (1998) COMPUTER-BASED STRUCTURE DETERMINATION: THEN AND NOW.JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES. VOL. 38. ISSUE 6. P. 997 -1009 35 97% 49
9 WARR, WA , (1993) INDIRECT DATABASE APPROACHES AND ESTABLISHED SYSTEMS .2..ANALYTICAL CHEMISTRY. VOL. 65. ISSUE 24. P. A1087-A1095 44 96% 35
10 JAKUS, V , (1993) UTILIZATION OF ARTIFICIAL-INTELLIGENCE IN CHEMISTRY.CHEMICKE LISTY. VOL. 87. ISSUE 4. P. 262 -279 79 49% 4

Classes with closest relation at Level 1


Rank Class id link
1 16757 REFERENCE SPECTRA MATRIX//ASPARAGUS FLY//CHARGE STATE INTENSITIES
2 36433 ARYLPROPARGYL ETHERS OF PHENOLS//CHEMOMETR//SUPERVISED KOHONEN NETWORKS
3 9684 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES//REACTION PREDICTION//REACTION CLASSIFICATION
4 13921 METABOLITE ANNOTATION//SCRIPPS METABOL MASS SPE OMETRY//ST S DEV BIOL
5 20799 PYROLYSIS MASS SPECTROMETRY//SEARCH PREFILTERS//FORENSIC AUTOMOTIVE PAINT ANALYSIS
6 35109 FUZZY RULE BUILDING EXPERT SYSTEM//INTELLIGENT CHEM RUMENTAT//ANOVA PCA
7 6994 GRADIENT ELUTION//CHROMATOGRAPHIC RESPONSE FUNCTION CRF//IONIZABLE ANALYTES
8 27292 DETECTION OF NONLINEARITY//STRAIGHT LINE CALIBRATION//FUZZY HIERARCHICAL CLUSTERING
9 22881 SPECFIT//ANALYTICA CHIMICA ACTA-COMPUTER TECHNIQUES AND OPTIMIZATION//SPECTROPHOTOMETRIC TITRATION
10 25132 MULTIVARIATE SPLINE INTERPOLATION//ASSOCIATING NETWORKS//COMPARISON OF MODELLING TECHNIQUES

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