Class information for:
Level 1: SITE OF METABOLISM//ACTIVE SITE TOPOLOGY//COMPUTAT CHEM MOL STRUCT

Basic class information
ID Publications Average number
of references		 Avg. shr. active
ref. in WoS
7216 1316 47.6 82%


Bar chart of Publication_year

Last years might be incomplete

Classes in level above (level 2)


ID, lev.
above		 Publications Label for level above
395 16247 CYTOCHROME P450//CYP2D6//PREGNANE X RECEPTOR

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 SITE OF METABOLISM Author keyword 13 80% 1% 8
2 ACTIVE SITE TOPOLOGY Author keyword 8 75% 0% 6
3 COMPUTAT CHEM MOL STRUCT Address 6 80% 0% 4
4 ATYPICAL KINETICS Author keyword 6 58% 1% 7
5 MOLEC EXPTL MED BIOCHEM NX4 Address 6 100% 0% 4
6 TYPE II BINDING Author keyword 5 63% 0% 5
7 1 PYRENEBUTANOL Author keyword 4 67% 0% 4
8 CYP2B4 Author keyword 4 50% 0% 6
9 DRUG METAB PHARMACOKINET BIOANALYT CHEM Address 4 50% 0% 6
10 HUMAN DRUG METABOLISM Author keyword 4 56% 0% 5

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 SITE OF METABOLISM 13 80% 1% 8 Search SITE+OF+METABOLISM Search SITE+OF+METABOLISM
2 ACTIVE SITE TOPOLOGY 8 75% 0% 6 Search ACTIVE+SITE+TOPOLOGY Search ACTIVE+SITE+TOPOLOGY
3 ATYPICAL KINETICS 6 58% 1% 7 Search ATYPICAL+KINETICS Search ATYPICAL+KINETICS
4 TYPE II BINDING 5 63% 0% 5 Search TYPE+II+BINDING Search TYPE+II+BINDING
5 1 PYRENEBUTANOL 4 67% 0% 4 Search 1+PYRENEBUTANOL Search 1+PYRENEBUTANOL
6 CYP2B4 4 50% 0% 6 Search CYP2B4 Search CYP2B4
7 HUMAN DRUG METABOLISM 4 56% 0% 5 Search HUMAN+DRUG+METABOLISM Search HUMAN+DRUG+METABOLISM
8 BURIED ACTIVE SITE 3 100% 0% 3 Search BURIED+ACTIVE+SITE Search BURIED+ACTIVE+SITE
9 IN SILICO ADMET 3 45% 0% 5 Search IN+SILICO+ADMET Search IN+SILICO+ADMET
10 2C9 3 60% 0% 3 Search 2C9 Search 2C9

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 COMBINED PROTEIN 67 87% 3% 33
2 3A4 47 32% 9% 122
3 SUBSTRATE RECOGNITION SITES 35 59% 3% 39
4 POSSIBLE PATHWAYS 33 100% 1% 13
5 SMARTCYP 31 92% 1% 12
6 COMPETITIVE CYP2C9 INHIBITORS 28 81% 1% 17
7 3A4 INHIBITORS 27 92% 1% 11
8 2B1 27 62% 2% 28
9 HUMAN CYTOCHROME P4502C9 27 53% 3% 36
10 RS PREDICTOR 26 100% 1% 11

Journals

Reviews


Title Publ. year Cit. Active references % act. ref.
to same field
Structure-based ligand design to overcome CYP inhibition in drug discovery projects 2014 4 43 86%
The ins and outs of cytochrome P450s 2007 127 31 52%
State-of-the-art tools for computational site of metabolism predictions: Comparative analysis, mechanistical insights, and future applications 2007 70 37 81%
Structure-based Drug Metabolism Predictions for Drug Design 2010 63 88 48%
Structural Diversity of Eukaryotic Membrane Cytochrome P450s 2013 18 96 54%
Cytochrome P450 and chemical toxicology 2008 435 143 14%
In silico site of metabolism prediction of cytochrome P450-mediated biotransformations 2011 24 66 65%
Conformational diversity and ligand tunnels of mammalian cytochrome P450s 2013 9 77 71%
Dynamics and Hydration of the Active Sites of Mammalian Cytochromes P450 Probed by Molecular Dynamics Simulations 2012 16 85 65%
Cytochrome P450 in silico: An integrative modeling approach 2005 136 191 52%

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 COMPUTAT CHEM MOL STRUCT 6 80% 0.3% 4
2 MOLEC EXPTL MED BIOCHEM NX4 6 100% 0.3% 4
3 DRUG METAB PHARMACOKINET BIOANALYT CHEM 4 50% 0.5% 6
4 CHEM PHARMACOCHEM 3 40% 0.5% 6
5 LHASA LTD 3 42% 0.4% 5
6 MEM 255 2 67% 0.2% 2
7 CHEM PROTEOM IL 2 50% 0.2% 3
8 DISCOVERY DMPK BIOANALYT CHEM 2 28% 0.4% 5
9 MOL INFORMAT STRUCT DESIGN 1 38% 0.2% 3
10 DDS DMPK 1 100% 0.2% 2

Related classes at same level (level 1)


Rank Relatedness score Related classes
1 0.0000263137 PUTIDAREDOXIN//CYTOCHROME P450CAM//CYP106A2
2 0.0000225062 ANTLEY BIXLER SYNDROME//CYTOCHROME P450 OXIDOREDUCTASE//NADPH CYTOCHROME P450 REDUCTASE
3 0.0000209519 CYP3A//COCKTAIL//MECHANISM BASED INHIBITION
4 0.0000146093 COMPOUND I//LISE MEITNER MINERVA COMPUTAT QUANTUM CHEM//CPD I
5 0.0000138519 N ALKYLPROTOPORPHYRIN IX//1 AMINOBENZOTRIAZOLE//CHICK EMBRYO LIVER
6 0.0000137100 PHARMACOKINET BIOANAL//CYP2D19//PROPRANOLOL ENANTIOMER
7 0.0000101594 CYP2A6//CYP2A5//CYP2A13
8 0.0000087491 CYP1B1//CYP2S1//CYTOCHROME P4501B1
9 0.0000081405 REACTIVE METABOLITE//MASS DEFECT FILTER//TIENILIC ACID
10 0.0000079039 CYP2C12//ONE DAY TREATMENT//S BIOCHEM