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Metabolite prediction software tools | Drug metabolism

Predictions of potential metabolites based on chemical structure are becoming increasingly important in drug discovery to guide medicinal chemistry efforts that address metabolic issues and to support experimental metabolite screening and…
Zeneth
Desktop

Zeneth

Provides accurate forced degradation predictions. Zeneth is the expert…

Provides accurate forced degradation predictions. Zeneth is the expert knowledge-based software for the prediction of forced degradation pathways. Once a query is submitted, the software analyses the…

DrugMint
Web

DrugMint

Predicts drug-likelihood of a compound. DrugMint is a predictive model that…

Predicts drug-likelihood of a compound. DrugMint is a predictive model that allows users to interactively draw/modify a molecule using a Marvin applet. It incorporates different modules to support…

PPS
Web

PPS EAWAG-BBD Pathway Prediction System

Predicts plausible pathways for microbial degradation of chemical compounds.…

Predicts plausible pathways for microbial degradation of chemical compounds. PPS uses biotransformation rules, based on reactions found in the EAWAG-BBD database or in the scientific literature. PPS…

Meteor Nexus
Desktop

Meteor Nexus

Provides a knowledge-based software that gives users accurate metabolism…

Provides a knowledge-based software that gives users accurate metabolism predictions quickly. Meteor Nexus is a cost-effective solution for that provides information for decision-making when there is…

SyGMa
Desktop

SyGMa Systematic Generation of potential Metabolites

Predicts the potential metabolites of a given parent structure. SyGMa uses a…

Predicts the potential metabolites of a given parent structure. SyGMa uses a set of reaction rules covering a broad range of phase 1 and phase 2 metabolism has been derived from metabolic reactions…

MetaPrint2D-Rea…
Web

MetaPrint2D-React

Predicts metabolic transformations. MetaPrint2D-React which can make…

Predicts metabolic transformations. MetaPrint2D-React which can make predictions concerning a wide range of reactions, is able to predict the types of transformation that can take place at ease site…

Metabolizer
Desktop

Metabolizer

Predicts xenobiotic metabolites and identifies major metabolites. Metabolizer…

Predicts xenobiotic metabolites and identifies major metabolites. Metabolizer is an in silico metabolic pathway prediction tool, which can be a unique assistant in pre-clinical drug discovery and…

TIMES
Desktop

TIMES TIssue MEtabolism Simulator

Allows prediction of metabolic transformations. TIMES can generate multiple…

Allows prediction of metabolic transformations. TIMES can generate multiple pathways maps and use different data sources to train the metabolic simulator. This is done to estimate the relative…

MetaDrug
Desktop

MetaDrug

Incorporates curated information on biological effects of small molecule…

Incorporates curated information on biological effects of small molecule compounds. MetaDrug predictions rely on manually curated information about compound targets, metabolic fate, ADME properties,…

Meta-PC
Desktop

Meta-PC

Predicts the metabolic and degradation products of chemical compounds. Meta-PC…

Predicts the metabolic and degradation products of chemical compounds. Meta-PC performs an expert evaluation of the chemical structure of the query compound and does not need prior test data about…

MetabolExpert
Desktop

MetabolExpert

Predicts the metabolic fate of a compound in the drug discovery process or…

Predicts the metabolic fate of a compound in the drug discovery process or during the dispositional research phase. MetabolExpert also helps the analysis of metabolic experiments. CompuDrug's…

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