Combined computational metabolite prediction and automated structure-based analysis of mass spectrometric data (Q33519657)

27 July 2017

title

Combined computational metabolite prediction and automated structure-based analysis of mass spectrometric data (English)

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27 July 2017

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27 July 2017

David D Stranz

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27 July 2017

Shichang Miao

series ordinal

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27 July 2017

Scott Campbell

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27 July 2017

George Maydwell

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27 July 2017

language of work or name

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1 January 2008

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Toxicology Mechanisms and Methods

27 July 2017

published in

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27 July 2017

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27 July 2017

issue

2-3

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27 July 2017

page(s)

243-250

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Bridging cheminformatic metabolite prediction and tandem mass spectrometry

27 July 2017

cites work

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

Quantitative structure-metabolism relationship modeling of metabolic N-dealkylation reaction rates

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

Kohonen maps for prediction of binding to human cytochrome P450 3A4.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

Pharmacophore, drug metabolism, and pharmacokinetics models on non-peptide AT1, AT2, and AT1/AT2 angiotensin II receptor antagonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

A new statistical approach to predicting aromatic hydroxylation sites. Comparison with model-based approaches

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

Pharmacophore modeling of cytochromes P450.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

Computational prediction of human drug metabolism

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

Techniques: application of systems biology to absorption, distribution, metabolism, excretion and toxicity

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

Classification of metabolites with kernel-partial least squares (K-PLS).

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

A Human Drug Metabolism Database: Potential Roles in the Quantitative Predictions of Drug Metabolism and Metabolism-Related Drug-Drug Interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

Computer systems for the prediction of xenobiotic metabolism

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

A review of the common properties of drugs with idiosyncratic hepatotoxicity and the "multiple determinant hypothesis" for the manifestation of idiosyncratic drug toxicity.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

Strategies for dealing with metabolite elucidation in drug discovery and development

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

P450 in the rat and man: methods of investigation, substrate specificities and relevance to cancer

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

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/10.1080%2F15376510701857189

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

Screening for the potential of a drug candidate to cause idiosyncratic drug reactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

Idiosyncratic toxicity: the role of toxicophores and bioactivation

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

Methods for predicting human drug metabolism

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

Predicting Biotransformation Potential from Molecular Structure

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F15376510701857189

10.1080/15376510701857189

21 January 2018

Identifiers

DOI

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27 July 2017

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