MetabolExpert specifications

Information


Unique identifier OMICS_15727
Name MetabolExpert
Software type Package/Module
Interface Graphical user interface
Restrictions to use License purchase required
Operating system Unix/Linux, Windows
Computer skills Medium
Stability Stable
Maintained Yes

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Maintainer


  • person_outline PrologP Team <>

Publication for MetabolExpert

MetabolExpert in publications

 (4)
PMCID: 4783977
PMID: 26901192
DOI: 10.3390/ijms17020246

[…] prediction of drug metabolism, mainly contain some commercially available like meteor (is an expert method to anticipate the possible metabolic fate of compound based on its chemical structure) [], metabolexpert (is an expert system for predicting metabolism of substances) [] and meta (is a knowledge-based expert system stimulating the biotransformation of xenobiotics) []. all knowledge-based […]

PMCID: 4043666
PMID: 24893169
DOI: 10.1371/journal.pone.0098096

[…] profile, which is one of the main reasons of a drug withdrawal from the market . some open-source metabolic software is available e.g. smartcyp , admetsar , metaprint2d as well as commercial ones: metabolexpert (compudrug international, bal harbor, fl, usa) or meteor nexus (lhasa limited, leeds, united kingdom). nevertheless, in vitro experiments followed by qualitative and quantitative […]

PMCID: 3015162
PMID: 21289855
DOI: 10.1007/s12566-010-0015-9

[…] of phase ii metabolites. in recent years, software expert algorithms for metabolite predictions have been developed, and this includes tools such as derek, catabol, lhasa, metabogen, meteor, and metabolexpert [–]. the software works along known metabolic transformation rules and performs an in silico prediction of possible metabolites. those metabolite structures can be identified later […]

PMCID: 2682929
PMID: 19265398
DOI: 10.1021/cr030440j

[…] use either knowledge-based rules or a simplified simulation of the interaction between the pertinent cyp and the metabolized molecule. the former category includes the commercial expert systems metabolexpert,() meteor– and meta.() the software tool metasite() is the only representative of the second category. the binding sites in the homology models of several cyp isoforms are characterized […]


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MetabolExpert institution(s)
CompuDrug Ltd, Budapest, Hungary

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