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SyGMa: combining expert knowledge and empirical scoring in the prediction of metabolites
scientific article published on 01 May 2008
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Europe PubMed Central
PubMed publication ID
18311745
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18311745%20AND%20SRC:MED&resulttype=core&format=json
retrieved
3 January 2020
title
SyGMa: combining expert knowledge and empirical scoring in the prediction of metabolites
(English)
1 reference
stated in
Europe PubMed Central
PubMed publication ID
18311745
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18311745%20AND%20SRC:MED&resulttype=core&format=json
retrieved
3 January 2020
author name string
Lars Ridder
series ordinal
1
1 reference
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Europe PubMed Central
PubMed publication ID
18311745
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18311745%20AND%20SRC:MED&resulttype=core&format=json
retrieved
3 January 2020
Markus Wagener
series ordinal
2
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Europe PubMed Central
PubMed publication ID
18311745
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18311745%20AND%20SRC:MED&resulttype=core&format=json
retrieved
3 January 2020
publication date
1 May 2008
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Europe PubMed Central
PubMed publication ID
18311745
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18311745%20AND%20SRC:MED&resulttype=core&format=json
retrieved
3 January 2020
published in
ChemMedChem
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Europe PubMed Central
PubMed publication ID
18311745
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18311745%20AND%20SRC:MED&resulttype=core&format=json
retrieved
3 January 2020
volume
3
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Europe PubMed Central
PubMed publication ID
18311745
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18311745%20AND%20SRC:MED&resulttype=core&format=json
retrieved
3 January 2020
issue
5
1 reference
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Europe PubMed Central
PubMed publication ID
18311745
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18311745%20AND%20SRC:MED&resulttype=core&format=json
retrieved
3 January 2020
page(s)
821-832
1 reference
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Europe PubMed Central
PubMed publication ID
18311745
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18311745%20AND%20SRC:MED&resulttype=core&format=json
retrieved
3 January 2020
cites work
Strategies for dealing with metabolite elucidation in drug discovery and development
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Integration of knowledge-based metabolic predictions with liquid chromatography data-dependent tandem mass spectrometry for drug metabolism studies: application to studies on the biotransformation of indinavir
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Computational models for cytochrome P450: a predictive electronic model for aromatic oxidation and hydrogen atom abstraction
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
A model for predicting likely sites of CYP3A4-mediated metabolism on drug-like molecules
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Rapid quantum mechanical models for the computational estimation of C-H bond dissociation energies as a measure of metabolic stability
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Regioselectivity of cytochrome P-450 catalyzed hydroxylation of fluorobenzenes predicted by calculated frontier orbital substrate characteristics
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Do Fukui function maxima relate to sites of metabolism? A critical case study
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Predicting Drug Metabolism: A Site of Metabolism Prediction Tool Applied to the Cytochrome P450 2C9
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
MetaSite: understanding metabolism in human cytochromes from the perspective of the chemist
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
META. 1. A program for the evaluation of metabolic transformation of chemicals.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
META. 2. A dictionary model of mammalian xenobiotic metabolism.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Using Absolute and Relative Reasoning in the Prediction of the Potential Metabolism of Xenobiotics
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Predicting drug metabolism--an evaluation of the expert system METEOR.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Modeling of human cytochrome p450-mediated drug metabolism using unsupervised machine learning approach
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Computational prediction of human drug metabolism
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
A combined approach to drug metabolism and toxicity assessment
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
META. 3. A genetic algorithm for metabolic transform priorities optimization.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Predicting Biotransformation Potential from Molecular Structure
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Reaction site mapping of xenobiotic biotransformations
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
A systematic approach to simulating metabolism in computational toxicology. I. The TIMES heuristic modelling framework
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
New methods in predictive metabolism
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Mechanistic studies of uridine diphosphate glucuronosyltransferase
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Pharmacokinetics and metabolism of lumiracoxib in healthy male subjects
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Comparison of methods for the prediction of the metabolic sites for CYP3A4-mediated metabolic reactions
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Cytochrome P450 3A-mediated metabolism of buspirone in human liver microsomes
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Automated software-guided identification of new buspirone metabolites using capillary LC coupled to ion trap and TOF mass spectrometry
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Improving the decision-making process in the structural modification of drug candidates: enhancing metabolic stability
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
The design and preparation of metabolically protected new arylpiperazine 5-HT1A ligands
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Synthesis and bioactivity of novel bis(heteroaryl)piperazine (BHAP) reverse transcriptase inhibitors: structure-activity relationships and increased metabolic stability of novel substituted pyridine analogs
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Genome-Scale Classification of Metabolic Reactions: A Chemoinformatics Approach
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Prediction of oxidoreductase-catalyzed reactions based on atomic properties of metabolites
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
A self-organizing principle for learning nonlinear manifolds
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): evaluation of performance
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Structure-Based Classification of Chemical Reactions without Assignment of Reaction Centers
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200700312
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Identifiers
DOI
10.1002/CMDC.200700312
1 reference
stated in
Europe PubMed Central
PubMed publication ID
18311745
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18311745%20AND%20SRC:MED&resulttype=core&format=json
retrieved
3 January 2020
PubMed publication ID
18311745
1 reference
stated in
Europe PubMed Central
PubMed publication ID
18311745
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18311745%20AND%20SRC:MED&resulttype=core&format=json
retrieved
3 January 2020
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