Class information for:
Level 1: FRAGMENT SCREENING//FRAGMENT BASED DRUG DISCOVERY//NMR SCREENING

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
11825 951 47.3 87%


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
1269 2             JOURNAL OF CHEMICAL INFORMATION AND MODELING//LIFE SCI INFORMAT//B IT 8772
11825 1                   FRAGMENT SCREENING//FRAGMENT BASED DRUG DISCOVERY//NMR SCREENING 951

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 FRAGMENT SCREENING authKW 517479 4% 46% 35
2 FRAGMENT BASED DRUG DISCOVERY authKW 509437 4% 42% 38
3 NMR SCREENING authKW 474180 3% 62% 24
4 FRAGMENT BASED SCREENING authKW 313243 2% 51% 19
5 WATERLOGSY authKW 308224 1% 80% 12
6 FRAGMENT BASED DRUG DESIGN authKW 237066 3% 31% 24
7 COMPETITION BINDING EXPERIMENTS authKW 192643 1% 100% 6
8 SATURATION TRANSFER DIFFERENCE authKW 174789 1% 39% 14
9 STD NMR authKW 153873 2% 23% 21
10 FRAGMENT BASED LEAD DISCOVERY authKW 139585 1% 43% 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, Medicinal 8032 27% 0% 261
2 Biochemical Research Methods 1210 13% 0% 120
3 Biochemistry & Molecular Biology 1049 30% 0% 287
4 Chemistry, Multidisciplinary 893 22% 0% 208
5 Pharmacology & Pharmacy 605 17% 0% 160
6 Spectroscopy 527 7% 0% 67
7 Biophysics 447 9% 0% 84
8 Computer Science, Interdisciplinary Applications 309 5% 0% 52
9 Chemistry, Analytical 142 7% 0% 64
10 Mathematical & Computational Biology 91 2% 0% 20

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 STRUCT BIOL MED CHEM 96322 0% 100% 3
2 YSBL 96316 1% 50% 6
3 ABT MAKROMOL KRISTALLOG 64214 0% 100% 2
4 ANAL RUMENTS 64214 0% 100% 2
5 CHEM ANALYT SCI STRUCT BIOL 64214 0% 100% 2
6 CNS LEAD GENERAT 64214 0% 100% 2
7 HZB 64214 0% 100% 2
8 NM PLICAT GRP 42808 0% 67% 2
9 RD LGCR STRUCT DESIGN INFORMAT 42808 0% 67% 2
10 ALZHEIMERS UK CAMBRIDGE DRUG DISCOVERY 32107 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 DRUG DISCOVERY TODAY 18849 4% 2% 38
2 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 9572 2% 1% 23
3 JOURNAL OF MEDICINAL CHEMISTRY 9046 8% 0% 78
4 CURRENT TOPICS IN MEDICINAL CHEMISTRY 8128 3% 1% 24
5 CURRENT OPINION IN DRUG DISCOVERY & DEVELOPMENT 7446 1% 2% 12
6 JOURNAL OF BIOMOLECULAR NMR 6347 2% 1% 23
7 JOURNAL OF BIOMOLECULAR SCREENING 6041 2% 1% 18
8 CHEMMEDCHEM 5576 2% 1% 20
9 COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING 5398 2% 1% 15
10 JOURNAL OF CHEMICAL INFORMATION AND MODELING 4968 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 FRAGMENT SCREENING 517479 4% 46% 35 Search FRAGMENT+SCREENING Search FRAGMENT+SCREENING
2 FRAGMENT BASED DRUG DISCOVERY 509437 4% 42% 38 Search FRAGMENT+BASED+DRUG+DISCOVERY Search FRAGMENT+BASED+DRUG+DISCOVERY
3 NMR SCREENING 474180 3% 62% 24 Search NMR+SCREENING Search NMR+SCREENING
4 FRAGMENT BASED SCREENING 313243 2% 51% 19 Search FRAGMENT+BASED+SCREENING Search FRAGMENT+BASED+SCREENING
5 WATERLOGSY 308224 1% 80% 12 Search WATERLOGSY Search WATERLOGSY
6 FRAGMENT BASED DRUG DESIGN 237066 3% 31% 24 Search FRAGMENT+BASED+DRUG+DESIGN Search FRAGMENT+BASED+DRUG+DESIGN
7 COMPETITION BINDING EXPERIMENTS 192643 1% 100% 6 Search COMPETITION+BINDING+EXPERIMENTS Search COMPETITION+BINDING+EXPERIMENTS
8 SATURATION TRANSFER DIFFERENCE 174789 1% 39% 14 Search SATURATION+TRANSFER+DIFFERENCE Search SATURATION+TRANSFER+DIFFERENCE
9 STD NMR 153873 2% 23% 21 Search STD+NMR Search STD+NMR
10 FRAGMENT BASED LEAD DISCOVERY 139585 1% 43% 10 Search FRAGMENT+BASED+LEAD+DISCOVERY Search FRAGMENT+BASED+LEAD+DISCOVERY

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 CAMPOS-OLIVAS, R , (2011) NMR SCREENING AND HIT VALIDATION IN FRAGMENT BASED DRUG DISCOVERY.CURRENT TOPICS IN MEDICINAL CHEMISTRY. VOL. 11. ISSUE 1. P. 43 -67 142 65% 17
2 CALA, O , GUILLIERE, F , KRIMM, I , (2014) NMR-BASED ANALYSIS OF PROTEIN-LIGAND INTERACTIONS.ANALYTICAL AND BIOANALYTICAL CHEMISTRY. VOL. 406. ISSUE 4. P. 943-956 60 76% 19
3 KESERU, GM , ERLANSON, DA , FERENCZY, GG , HANN, MM , MURRAY, CW , PICKETT, SD , (2016) DESIGN PRINCIPLES FOR FRAGMENT LIBRARIES: MAXIMIZING THE VALUE OF LEARNINGS FROM PHARMA FRAGMENT-BASED DRUG DISCOVERY (FBDD) PROGRAMS FOR USE IN ACADEMIA.JOURNAL OF MEDICINAL CHEMISTRY. VOL. 59. ISSUE 18. P. 8189 -8206 63 50% 5
4 HARNER, MJ , FRANK, AO , FESIK, SW , (2013) FRAGMENT-BASED DRUG DISCOVERY USING NMR SPECTROSCOPY.JOURNAL OF BIOMOLECULAR NMR. VOL. 56. ISSUE 2. P. 65-75 49 73% 35
5 DALVIT, C , (2007) LIGAND- AND SUBSTRATE-BASED F-19 NMR SCREENING: PRINCIPLES AND APPLICATIONS TO DRUG DISCOVERY.PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY. VOL. 51. ISSUE 4. P. 243-I 79 55% 67
6 LEPRE, CA , MOORE, JM , PENG, JW , (2004) THEORY AND APPLICATIONS OF NMR-BASED SCREENING IN PHARMACEUTICAL RESEARCH.CHEMICAL REVIEWS. VOL. 104. ISSUE 8. P. 3641-3675 66 61% 162
7 PELLECCHIA, M , BERTINI, I , COWBURN, D , DALVIT, C , GIRALT, E , JAHNKE, W , JAMES, TL , HOMANS, SW , KESSLER, H , LUCHINAT, C , ET AL (2008) PERSPECTIVES ON NMR IN DRUG DISCOVERY: A TECHNIQUE COMES OF AGE.NATURE REVIEWS DRUG DISCOVERY. VOL. 7. ISSUE 9. P. 738 -745 56 55% 144
8 GOZALBES, R , CARBAJO, RJ , PINEDA-LUCENA, A , (2010) CONTRIBUTIONS OF COMPUTATIONAL CHEMISTRY AND BIOPHYSICAL TECHNIQUES TO FRAGMENT-BASED DRUG DISCOVERY.CURRENT MEDICINAL CHEMISTRY. VOL. 17. ISSUE 17. P. 1769-1794 90 39% 21
9 ERLANSON, DA , FESIK, SW , HUBBARD, RE , JAHNKE, W , JHOTI, H , (2016) TWENTY YEARS ON: THE IMPACT OF FRAGMENTS ON DRUG DISCOVERY.NATURE REVIEWS DRUG DISCOVERY. VOL. 15. ISSUE 9. P. 605 -619 46 50% 5
10 HOFFER, L , RENAUD, JP , HORVATH, D , (2011) FRAGMENT-BASED DRUG DESIGN: COMPUTATIONAL AND EXPERIMENTAL STATE OF THE ART.COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING. VOL. 14. ISSUE 6. P. 500 -520 82 40% 17

Classes with closest relation at Level 1


Rank Class id link
1 34371 H 1 SPIN LATTICE RELAXATION RATE//AFFINITY INDEX//LIGAND MACROMOLECULES INTERACTION
2 25252 ISOTHERMAL TITRATION CALORIMETRY//ITC//CALORIMETRIC ENTHALPY
3 15825 DOSY//DIFFUSION ORDERED SPECTROSCOPY//REFERENCE DECONVOLUTION
4 1353 JOURNAL OF CHEMICAL INFORMATION AND MODELING//VIRTUAL SCREENING//JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
5 23925 WATERMAP//CAMBRIDGE MOL THER EUT PROGRAMME//PROTEIN HYDRATION
6 1013 LIFE SCI INFORMAT//B IT//LIMES PROGRAM UNIT CHEM BIOL MED CHEM
7 21935 COMPOUND MANAGEMENT//ACOUSTIC DROPLET EJECTION//ASSAY READY PLATES
8 15710 ALPHA HELIX MIMETICS//STAPLED PEPTIDES//PROTEOMIMETICS
9 9196 PROTEIN FUNCTION PREDICTION//COMPLEX SCI SOFTWARE//PHYLOGENETIC MOTIFS
10 6443 PROTEIN PROTEIN DOCKING//CAPRI//PROTEIN DOCKING

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