A k-Nearest Neighbours Approach Using Metabolism-related Fingerprints to Improve In Silico Metabolite Ranking.

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A k-Nearest Neighbours Approach Using Metabolism-related Fingerprints to Improve In Silico Metabolite Ranking.

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2016 nî lūn-bûn

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2016年の論文

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年學術文章

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2016年學術文章

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2016年學術文章

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A k-Nearest Neighbours Approac ...... In Silico Metabolite Ranking.

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A k-Nearest Neighbours Approac ...... In Silico Metabolite Ranking.

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A k-Nearest Neighbours Approac ...... In Silico Metabolite Ranking.

@en

A k-Nearest Neighbours Approac ...... In Silico Metabolite Ranking.

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A k-Nearest Neighbours Approac ...... In Silico Metabolite Ranking.

@en

A k-Nearest Neighbours Approac ...... In Silico Metabolite Ranking.

@nl

P1476

A k-Nearest Neighbours Approac ...... In Silico Metabolite Ranking.

@en

P2093

Carol A Marchant

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Edward M Rosser

http://www.w3.org/2001/XMLSchema#string

Jonathan D Vessey

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P2860

Self organising hypothesis networks: a new approach for representing and structuring SAR knowledge

In silico tools for sharing data and knowledge on toxicity and metabolism: derek for windows, meteor, and vitic.

Pharmacokinetics and metabolism of lumiracoxib in healthy male subjects.

Software aided approaches to structure-based metabolite identification in drug discovery and development.

Predicting drug metabolism: experiment and/or computation?

Quinacrine is mainly metabolized to mono-desethyl quinacrine by CYP3A4/5 and its brain accumulation is limited by P-glycoprotein.

Using absolute and relative reasoning in the prediction of the potential metabolism of xenobiotics.

Simulation of chemical metabolism for fate and hazard assessment. V. Mammalian hazard assessment.

Evaluation of three state-of-the-art metabolite prediction software packages (Meteor, MetaSite, and StarDrop) through independent and synergistic use.

Assessing Confidence in Predictions Using Veracity and Utility - A Case Study on the Prediction of Mammalian Metabolism by Meteor Nexus.

P31

scholarly article

P356

10.1002/MINF.201600105

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P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P577

2016-10-25T00:00:00Z

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P698

27778484

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P921

nearest neighbour algorithm