Class information for:
Level 1: JOURNAL OF CHEMICAL INFORMATION AND MODELING//VIRTUAL SCREENING//JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Basic class information
ID Publications Average number
of references		 Avg. shr. active
ref. in WoS
1481 2546 50.3 80%


Bar chart of Publication_year

Last years might be incomplete

Classes in level above (level 2)


ID, lev.
above		 Publications Label for level above
825 11237 JOURNAL OF CHEMICAL INFORMATION AND MODELING//B IT//JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES

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 JOURNAL OF CHEMICAL INFORMATION AND MODELING Journal 79 16% 18% 450
2 VIRTUAL SCREENING Author keyword 58 17% 12% 308
3 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN Journal 53 17% 11% 281
4 SCORING FUNCTION Author keyword 34 38% 3% 73
5 PROTEIN LIGAND DOCKING Author keyword 20 44% 1% 35
6 STRUCTURE BASED DRUG DESIGN Author keyword 16 16% 4% 97
7 RECEPTOR FLEXIBILITY Author keyword 16 58% 1% 19
8 FLEXIBLE DOCKING Author keyword 13 30% 1% 35
9 SCORING FUNCTIONS Author keyword 12 34% 1% 30
10 PROTEIN FLEXIBILITY Author keyword 11 20% 2% 48

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 VIRTUAL SCREENING 58 17% 12% 308 Search VIRTUAL+SCREENING Search VIRTUAL+SCREENING
2 SCORING FUNCTION 34 38% 3% 73 Search SCORING+FUNCTION Search SCORING+FUNCTION
3 PROTEIN LIGAND DOCKING 20 44% 1% 35 Search PROTEIN+LIGAND+DOCKING Search PROTEIN+LIGAND+DOCKING
4 STRUCTURE BASED DRUG DESIGN 16 16% 4% 97 Search STRUCTURE+BASED+DRUG+DESIGN Search STRUCTURE+BASED+DRUG+DESIGN
5 RECEPTOR FLEXIBILITY 16 58% 1% 19 Search RECEPTOR+FLEXIBILITY Search RECEPTOR+FLEXIBILITY
6 FLEXIBLE DOCKING 13 30% 1% 35 Search FLEXIBLE+DOCKING Search FLEXIBLE+DOCKING
7 SCORING FUNCTIONS 12 34% 1% 30 Search SCORING+FUNCTIONS Search SCORING+FUNCTIONS
8 PROTEIN FLEXIBILITY 11 20% 2% 48 Search PROTEIN+FLEXIBILITY Search PROTEIN+FLEXIBILITY
9 COMPUTER AIDED DRUG DESIGN 10 21% 2% 40 Search COMPUTER+AIDED+DRUG+DESIGN Search COMPUTER+AIDED+DRUG+DESIGN
10 BINDING AFFINITY PREDICTION 9 55% 0% 12 Search BINDING+AFFINITY+PREDICTION Search BINDING+AFFINITY+PREDICTION

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 FLEXIBLE DOCKING 341 56% 16% 410
2 MOLECULAR DOCKING 192 34% 18% 469
3 AUTOMATED DOCKING 145 34% 14% 352
4 SCORING FUNCTIONS 119 43% 8% 213
5 PROTEIN LIGAND DOCKING 117 57% 5% 138
6 SIDE CHAIN FLEXIBILITY 97 66% 3% 89
7 DIRECTED DRUG DESIGN 88 89% 2% 40
8 INCREMENTAL CONSTRUCTION ALGORITHM 86 55% 4% 107
9 HIGH THROUGHPUT DOCKING 86 59% 4% 97
10 PROTEIN LIGAND INTERACTIONS 73 37% 6% 160

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 JOURNAL OF CHEMICAL INFORMATION AND MODELING 79 16% 18% 450
2 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 53 17% 11% 281
3 JOURNAL OF CHEMINFORMATICS 4 12% 1% 30
4 PERSPECTIVES IN DRUG DISCOVERY AND DESIGN 2 11% 1% 16

Reviews


Title Publ. year Cit. Active references % act. ref.
to same field
Beware of docking! 2015 3 163 50%
Can We Trust Docking Results? Evaluation of Seven Commonly Used Programs on PDBbind Database 2011 83 51 80%
Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review 2012 65 92 84%
Latest developments in molecular docking: 2010-2011 in review 2013 43 207 65%
Flexible ligand docking to multiple receptor conformations: a practical alternative 2008 191 31 74%
Docking and scoring in virtual screening for drug discovery: Methods and applications 2004 792 120 62%
Protein-ligand docking: Current status and future challenges 2006 346 118 78%
Virtual screening strategies in drug discovery 2007 134 37 84%
Computational Methods in Drug Discovery 2014 29 473 21%
Challenges and advances in computational docking: 2009 in review 2011 64 174 54%

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 COMP AIDED MOL DESIGN GRP 8 44% 0.5% 14
2 GRP ORPAILLEUR 4 75% 0.1% 3
3 INHIBOX 4 75% 0.1% 3
4 PROT STRUCT ANAL DESIGN 4 56% 0.2% 5
5 PHARMACEUT INNOVAT VALUE CHAIN 3 100% 0.1% 3
6 S MERAM 3 100% 0.1% 3
7 NSF THEORET BIOL PHYS 3 24% 0.5% 12
8 ALGORITHMS SCI COMP 3 23% 0.4% 11
9 GPIN 3 60% 0.1% 3
10 GRP COMPUTAT MOL DESIGN 3 60% 0.1% 3

Related classes at same level (level 1)


Rank Relatedness score Related classes
1 0.0000241411 B IT//LIFE SCI INFORMAT//LIMES PROGRAM UNIT CHEM BIOL MED CHEM
2 0.0000128225 ENVIRONM IND CHEM//ONE STEP PERTURBATION//SAMPL4
3 0.0000118288 CAPRI//PROTEIN PROTEIN DOCKING//PROTEIN DOCKING
4 0.0000112225 COMPLEX SCI SOFTWARE//3D ZERNIKE DESCRIPTOR//PROTEIN SURFACE SHAPE
5 0.0000111168 NMR SCREENING//FRAGMENT BASED DRUG DISCOVERY//WATERLOGSY
6 0.0000106680 THREE DIMENSIONAL HOLOGRAPHIC VECTOR OF ATOMIC INTERACTION FIELD 3D HOVAIF//COMFA//3D QSAR
7 0.0000092212 POLYPHARMACOLOGY//NETWORK PHARMACOLOGY//DRUG REPOSITIONING
8 0.0000085045 JOURNAL OF CHEMINFORMATICS//INCHI//CHEMICAL MARKUP LANGUAGE
9 0.0000079477 NAKA WORKS//CYCLOALCANES//CONFORMATIONAL POPULATION
10 0.0000078809 PROTEIN HYDRATION//INTERNAL SOLVENT//SOLVENT MODELING