Structure-based methods for the prediction of drug metabolism (Q36543100)

14 August 2017

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title

Structure-based methods for the prediction of drug metabolism (English)

1 reference

14 August 2017

Judith C Madden

1

1 reference

PubMed ID

16859403

14 August 2017

Mark T D Cronin

series ordinal

2

1 reference

PubMed ID

16859403

14 August 2017

language of work or name

English

0 references

publication date

1 August 2006

1 reference

Expert Opinion on Drug Metabolism & Toxicology

14 August 2017

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14 August 2017

2

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14 August 2017

4

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14 August 2017

545-557

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Progress in predicting human ADME parameters in silico

14 August 2017

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Cytochrome p450 in silico: an integrative modeling approach.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Pharmacophore modeling of cytochromes P450.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

In silico methods for predicting ligand binding determinants of cytochromes P450.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Towards a new age of virtual ADME/TOX and multidimensional drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

In silico approaches to predicting drug metabolism, toxicology and beyond.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

21 January 2018

QSAR of cytochrome P450.

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

In silico techniques for the study and prediction of xenobiotic metabolism: a review

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Computer systems for the prediction of xenobiotic metabolism

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Quantitative structure-activity relationships (QSARs) for substrates of human cytochromes P450 CYP2 family enzymes

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Quantitative structure-activity relationships for predicting metabolism and modeling cytochrome p450 enzyme activities

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Prediction of human drug metabolizing enzyme induction

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

In silico modelling of ADMET-a minireview of work from 2000 to 2004.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Clinical and toxicological relevance of CYP2C9: drug-drug interactions and pharmacogenetics

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Towards integrated ADME prediction: past, present and future directions for modelling metabolism by UDP-glucuronosyltransferases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

ADMET in silico modelling: towards prediction paradise?

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Clinical biomarkers in drug discovery and development

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Modeling of human cytochrome p450-mediated drug metabolism using unsupervised machine learning approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Structure-metabolism relationships in the hydrolysis of nicotinate esters by rat liver and brain subcellular fractions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Modelling enzyme reaction mechanisms, specificity and catalysis.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Quantum mechanical methods for enzyme kinetics

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Cytochromes P450 in the bioactivation of chemicals

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Quantitative structure-metabolism relationships: steric and nonsteric effects in the enzymatic hydrolysis of noncongener carboxylic esters.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

On the Estimation of Binding Affinity (&#916;Gbind) for Human P450 Substrates (Based on Km and K&#916; Values)

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Comparison of linear and nonlinear classification algorithms for the prediction of drug and chemical metabolism by human UDP-glucuronosyltransferase isoforms

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Prediction of cytochrome P450 3A4, 2D6, and 2C9 inhibitors and substrates by using support vector machines.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Development and validation of k-nearest-neighbor QSPR models of metabolic stability of drug candidates.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Three-dimensional quantitative structure-activity relationship analysis of cytochromes p450: effect of incorporating higher-affinity ligands and potential new applications

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Comparative molecular field analysis and QSAR on substrates binding to cytochrome p450 2D6.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

A comparative molecular field analysis-based approach to prediction of sulfotransferase catalytic specificity.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Protein-structure prediction by recombination of fragments.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

In silico prediction of ADME and pharmacokinetics. Report of an expert meeting organised by COST B15.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

META. 1. A program for the evaluation of metabolic transformation of chemicals.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

META. 3. A genetic algorithm for metabolic transform priorities optimization.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

META. 2. A dictionary model of mammalian xenobiotic metabolism.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Using Absolute and Relative Reasoning in the Prediction of the Potential Metabolism of Xenobiotics

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Knowledge-based expert systems for toxicity and metabolism prediction: DEREK, StAR and METEOR.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Predicting drug metabolism--an evaluation of the expert system METEOR.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

MetaSite: understanding metabolism in human cytochromes from the perspective of the chemist

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

A novel method for visualizing nuclear hormone receptor networks relevant to drug metabolism

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Computational prediction of human drug metabolism

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

A systematic approach to simulating metabolism in computational toxicology. I. The TIMES heuristic modelling framework

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Metabolic activation of chemicals: in-silico simulation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Early prediction of drug metabolism and toxicity: systems biology approach and modeling

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Predicting Biotransformation Potential from Molecular Structure

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Structure-Metabolism Relations and the Challenge of Predicting Biotransformation

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Predicting Drug Metabolism: A Site of Metabolism Prediction Tool Applied to the Cytochrome P450 2C9

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Validation of Model of Cytochrome P450 2D6: An in Silico Tool for Predicting Metabolism and Inhibition

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17425255.2.4.545

Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52

21 January 2018

1 reference

COCI

https://opencitations.net/index/api/v1/citations/10.1177/026119290503300209

18 January 2024

Identifiers

DOI

10.1517/17425255.2.4.545

1 reference

14 August 2017

1 reference

PubMed ID

16859403