Cytochrome P450 (CYPs) are the major enzymes involved in drug metabolism and bioactivation. Source text: Shao et al., 2015.
Web app
RS-WebPredictor RS-WebPredictor

RS-WebPredictor

A publicly available server for fast web-based prediction of cytochrome P450…

A publicly available server for fast web-based prediction of cytochrome P450 (CYP)-mediated metabolism on user-submitted molecules. RS-WebPredictor predicts site of metabolism for nine isozymes, and…

Web app
SwissADME SwissADME

SwissADME

Allows users to compute physicochemical descriptors as well as predict…

Allows users to compute physicochemical descriptors as well as predict pharmacokinetics properties and druglike nature of one or multiple small molecules. SwissADME was made for application in drug…

Desktop app
CYP450model CYP450model

CYP450model

Predicts the ability of drug-like chemicals to inhibit five major drug…

Predicts the ability of drug-like chemicals to inhibit five major drug metabolizing cytochrome P450 enzyme isoforms (CYPs) (i.e. CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP3A4). CYP450model is a unified…

Desktop app
Prediction of… Prediction of Xenobiotic Metabolism

PROXIMAL Prediction of Xenobiotic Metabolism

A prediction tool for identifying possible transformation products of…

A prediction tool for identifying possible transformation products of xenobiotic chemicals in the liver. PROXIMAL builds look-up tables that catalog the sites and types of structural modifications…

Web app
MetaPrint2D MetaPrint2D

MetaPrint2D

Predicts xenobiotic metabolism through data-mining and statistical analysis of…

Predicts xenobiotic metabolism through data-mining and statistical analysis of known metabolic transformations. Two versions of the tool are available: MetaPrint2D (which predicts sites of phase I…

Web app
Sites Of Metabolism… Sites Of Metabolism Prediction

SOM Prediction Sites Of Metabolism Prediction

A computational protocol which comprises docking of ligands to heme-containing…

A computational protocol which comprises docking of ligands to heme-containing CYPs. SOM Prediction also offers prediction of binding energies through a newly developed scoring function, followed by…

Web app
SCYPPred SCYPPred

SCYPPred

A web-server developed for predicting human cytochrome P450 SNPs (Single…

A web-server developed for predicting human cytochrome P450 SNPs (Single Nucleotide Polymorphisms) based on the SVM flanking sequence method. SCYPPred can yield the desired results by using the amino…

FragmentStore FragmentStore

FragmentStore

A resource for the comparison of fragments found in metabolites, drugs or toxic…

A resource for the comparison of fragments found in metabolites, drugs or toxic compounds. Starting from 13,000 metabolites, 16,000 drugs and 2200 toxic compounds we generated 35,000 different…

Desktop app
Web app
XenoSite-Region XenoSite-Region

XenoSite-Region

A method for training site-of-metabolism models with region-resolution data.…

A method for training site-of-metabolism models with region-resolution data. This approach uses the Expectation Maximization algorithm to train a site-of-metabolism model. It opens up a way to extend…

Web app
Site Of Metabolism… Site Of Metabolism Prediction

SOMP Site Of Metabolism Prediction

A freely available web-server SOMP to predict the sites of metabolism (SOM)…

A freely available web-server SOMP to predict the sites of metabolism (SOM) based on the structural formula of chemicals has been developed. It is based on the analyses of “structure-SOM”…

Web app
ADME SARfari ADME SARfari

ADME SARfari

A freely available web resource that enables comparative analyses of…

A freely available web resource that enables comparative analyses of drug-disposition genes. ADME SARfari does so by integrating a number of publicly available data sources, which have subsequently…

Web app
SMARTCyp SMARTCyp

SMARTCyp

Predicts the sites in molecules that are most liable to cytochrome P450…

Predicts the sites in molecules that are most liable to cytochrome P450 mediated metabolism. It has been shown to be applicable to metabolism by the isoforms 1A2, 2A6, 2B6, 2C8, 2C19, 2E1, and 3A4…

Desktop app
Web app
WhichCyp WhichCyp

WhichCyp

A tool for prediction of which cytochromes P450 isoforms (among 1A2, 2C9, 2C19,…

A tool for prediction of which cytochromes P450 isoforms (among 1A2, 2C9, 2C19, 2D6 and 3A4) a given molecule is likely to inhibit. The models are built from experimental high-throughput data using…

Web app
CypRules CypRules

CypRules

Predicts the metabolizing Cytochromes P450 (CYPs) inhibition, including CYP1A2,…

Predicts the metabolizing Cytochromes P450 (CYPs) inhibition, including CYP1A2, CYP2C19, CYP2C9, CYP2D6 and CYP3A4. CypRules predicts its results based on C5.0 algorithm. The rules are calculated…

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