Class information for:
Level 2: COMPUTER ASSISTED STRUCTURE ELUCIDATION//AUTOMATED CHEMISTRY WORKSTATION//SEARCH PREFILTERS

Basic class information

ID Publications Average number
of references
Avg. shr. active
ref. in WoS
2371 3854 23.4 38%



Bar chart of Publication_year

Last years might be incomplete

Classes in level above (level 3)



ID, lev.
above
Publications Label for level above
362 30818 JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES//MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY//JOURNAL OF CHEMICAL INFORMATION AND MODELING

Classes in level below (level 1)



ID, lev. below Publications Label for level below
6002 1477 COMPUTER ASSISTED STRUCTURE ELUCIDATION//STRUCTURE GENERATOR//COMPUTER ASSISTED INTERPRETATION
19430 441 HBEREICH CHEM UMWELTINGENIEURWESEN//ECOL CHEM TECHNOL//ANALYT CHEM TOERNOOIVELD
19663 430 KNOWLEDGE DOMAIN MATRIX//CHROMATOGRAM BASE//COASTAL MEASUREMENTS
20953 378 SENSORS ANALYSERS//LOW COUNTS//CALIMANI
24108 270 ETHYLAMPHETAMINE//ROBOTIC WORKSTATION//METAPHOSPHORIC ACID
24717 253 SEARCH PREFILTERS//PYROLYSIS MASS SPECTROMETRY//FUEL SPILL IDENTIFICATION
25249 238 CATALYSIS BY ALLOYS//CHEMISORPTION BOND//ENSEMBLE SIZE EFFECT
26596 205 AUTOMATED CHEMISTRY WORKSTATION//PARALLEL EXPERIMENTATION//AUTOMATED CHEMISTRY
32732 103 URBAN HEALTH POLICY//KRIGING TECHNIQUE//CHEM CHEMOMETR BG10
34893 59 LIMIT DILUTION METHOD//NISHINA ACCLERATOR BASED SCI//STANDARD ADDITION TECHNIQUE

Terms with highest relevance score



Rank Term Type of term Relevance score
(tfidf)
Class's shr.
of term's tot.
occurrences
Shr. of publ.
in class containing
term
Num. of
publ. in
class
1 COMPUTER ASSISTED STRUCTURE ELUCIDATION Author keyword 17 79% 0% 11
2 AUTOMATED CHEMISTRY WORKSTATION Author keyword 11 100% 0% 6
3 SEARCH PREFILTERS Author keyword 11 100% 0% 6
4 STRUCTURE GENERATOR Author keyword 9 83% 0% 5
5 PYROLYSIS MASS SPECTROMETRY Author keyword 8 23% 1% 31
6 PARALLEL EXPERIMENTATION Author keyword 8 100% 0% 5
7 COMPUTER ASSISTED INTERPRETATION Author keyword 6 58% 0% 7
8 LIBRARY SEARCH Author keyword 6 39% 0% 12
9 FUEL SPILL IDENTIFICATION Author keyword 6 100% 0% 4
10 QUANTITATIVE STRUCTURE SPECTROSCOPY RELATIONSHIP Author keyword 6 100% 0% 4

Web of Science journal categories

Author Key Words



Rank Web of Science journal category Relevance score
(tfidf)
Class's shr.
of term's tot.
occurrences
Shr. of publ.
in class containing
term
Num. of
publ. in
class
LCSH search Wikipedia search
1 COMPUTER ASSISTED STRUCTURE ELUCIDATION 17 79% 0% 11 Search COMPUTER+ASSISTED+STRUCTURE+ELUCIDATION Search COMPUTER+ASSISTED+STRUCTURE+ELUCIDATION
2 AUTOMATED CHEMISTRY WORKSTATION 11 100% 0% 6 Search AUTOMATED+CHEMISTRY+WORKSTATION Search AUTOMATED+CHEMISTRY+WORKSTATION
3 SEARCH PREFILTERS 11 100% 0% 6 Search SEARCH+PREFILTERS Search SEARCH+PREFILTERS
4 STRUCTURE GENERATOR 9 83% 0% 5 Search STRUCTURE+GENERATOR Search STRUCTURE+GENERATOR
5 PYROLYSIS MASS SPECTROMETRY 8 23% 1% 31 Search PYROLYSIS+MASS+SPECTROMETRY Search PYROLYSIS+MASS+SPECTROMETRY
6 PARALLEL EXPERIMENTATION 8 100% 0% 5 Search PARALLEL+EXPERIMENTATION Search PARALLEL+EXPERIMENTATION
7 COMPUTER ASSISTED INTERPRETATION 6 58% 0% 7 Search COMPUTER+ASSISTED+INTERPRETATION Search COMPUTER+ASSISTED+INTERPRETATION
8 LIBRARY SEARCH 6 39% 0% 12 Search LIBRARY+SEARCH Search LIBRARY+SEARCH
9 FUEL SPILL IDENTIFICATION 6 100% 0% 4 Search FUEL+SPILL+IDENTIFICATION Search FUEL+SPILL+IDENTIFICATION
10 QUANTITATIVE STRUCTURE SPECTROSCOPY RELATIONSHIP 6 100% 0% 4 Search QUANTITATIVE+STRUCTURE+SPECTROSCOPY+RELATIONSHIP Search QUANTITATIVE+STRUCTURE+SPECTROSCOPY+RELATIONSHIP

Key Words Plus



Rank Web of Science journal category Relevance score
(tfidf)
Class's shr.
of term's tot.
occurrences
Shr. of publ.
in class containing
term
Num. of
publ. in
class
1 AUTOMATED STRUCTURE ELUCIDATION 61 76% 1% 42
2 ASSISTED STRUCTURE ELUCIDATION 46 70% 1% 38
3 CHEMICAL INFERENCE 34 65% 1% 33
4 INFRARED SPECTRUM INTERPRETATION 25 73% 0% 19
5 CHEMICAL SHIFT PREDICTION 23 64% 1% 23
6 SIZE LIBRARIES 23 86% 0% 12
7 MOLECULAR STRUCTURE ELUCIDATION 17 79% 0% 11
8 ORTHONORMALIZED REFERENCE SPECTRA 17 100% 0% 8
9 SATURATED FRAMEWORK 17 100% 0% 8
10 2D NMR DATA 15 82% 0% 9

Journals



Rank Web of Science journal category Relevance score
(tfidf)
Class's shr.
of term's tot.
occurrences
Shr. of publ.
in class containing
term
Num. of
publ. in
class
1 LABORATORY ROBOTICS AND AUTOMATION 5 14% 1% 30

Reviews



Title Publ. year Cit. Active references % act. ref.
to same field
Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation 2008 52 184 50%
Recent developments in automated structure elucidation of natural products 2004 50 29 79%
Computer assisted structure elucidation of natural products using two-dimensional NMR spectroscopy 1999 35 24 63%
Structural revisions of natural products by Computer-Assisted Structure Elucidation (CASE) systems 2010 22 75 36%
NEURAL NETWORKS - A NEW METHOD FOR SOLVING CHEMICAL PROBLEMS OR JUST A PASSING PHASE 1991 524 39 15%
AUTOMATED INTERPRETATION OF VIBRATIONAL-SPECTRA 1990 38 66 95%
Expert systems for the determination of structures of organic molecules by spectral methods 1999 13 92 87%
FEEDFORWARD NEURAL NETWORKS IN CHEMISTRY - MATHEMATICAL SYSTEMS FOR CLASSIFICATION AND PATTERN-RECOGNITION 1993 136 69 28%
NEURAL NETWORKS IN CHEMISTRY 1993 233 33 15%
Breaking the new bottleneck: Automated synthesis in chemical process research and development 1999 33 31 35%

Address terms



Rank Address term Relevance score
(tfidf)
Class's shr.
of term's tot.
occurrences
Shr. of publ.
in class containing
term
Num. of
publ. in
class
1 ADV SPECT 5 28% 0.4% 15
2 LARTIC 3 43% 0.2% 6
3 MOSCOW 3 28% 0.3% 10
4 NOVOSIBIRSK ORGAN CHEM 2 10% 0.5% 21
5 CHEMAC 2 67% 0.1% 2
6 HBEREICH CHEM UMWELTINGENIEURWESEN 2 50% 0.1% 3
7 CHEM TECHNOL MATH 2 36% 0.1% 4
8 ECOL CHEM TECHNOL 2 43% 0.1% 3
9 ANALYT CHEM TOERNOOIVELD 1 100% 0.1% 2
10 COMP CHEM PHYS CHEM 1 100% 0.1% 2

Related classes at same level (level 2)



Rank Relatedness score Related classes
1 0.0000015913 NEAR INFRARED SPECTROSCOPY//MULTIVARIATE CALIBRATION//CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
2 0.0000015645 ACCREDITATION AND QUALITY ASSURANCE//PROFICIENCY TESTING//MEASUREMENT UNCERTAINTY
3 0.0000011911 WIENER INDEX//SZEGED INDEX//QSAR
4 0.0000009928 JOURNAL OF CHEMICAL INFORMATION AND MODELING//B IT//JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
5 0.0000009630 SOLUTIONS COMPLEXES//ACID BASE INTERACTIONS HYDROGEN BOND//VIBRONIC SPECTRA CALCULATION
6 0.0000007461 STEREOISOGRAM//FULL NON RIGID GROUP//RAMAN MAGNETIC RESONANCE
7 0.0000007227 SIMULATED MOVING BED//JOURNAL OF CHROMATOGRAPHY A//JOURNAL OF CHROMATOGRAPHY
8 0.0000007099 METABONOMICS//METABOLOMICS//METABOLIC PROFILING
9 0.0000006901 ROOM TEMPERATURE PHOSPHORESCENCE//SOLID MATRIX LUMINESCENCE//PHOSPHORIMETRY
10 0.0000006829 NITRITE DETERMINATION//NITRITE//SEQUENTIAL INJECTION ANALYSIS