(Q31118093)

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Selecting Relevant Descriptors for Classification by Bayesian Estimates: A Comparison with Decision Trees and Support Vector Machines Approaches for Disparate Data Sets

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scholarly article

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Europe PubMed Central

PubMed publication ID

29 June 2017

Selecting Relevant Descriptors for Classification by Bayesian Estimates: A Comparison with Decision Trees and Support Vector Machines Approaches for Disparate Data Sets (English)

1 reference

Europe PubMed Central

PubMed publication ID

29 June 2017

support vector machine

1 reference

based on heuristic

inferred from title

decision-tree classification

1 reference

based on heuristic

inferred from title

author name string

Miriam Carbon-Mangels

1

1 reference

Europe PubMed Central

PubMed publication ID

29 June 2017

Michael C Hutter

2

1 reference

Europe PubMed Central

PubMed publication ID

29 June 2017

publication date

22 September 2011

1 reference

Europe PubMed Central

PubMed publication ID

29 June 2017

Molecular Informatics

1 reference

Europe PubMed Central

PubMed publication ID

29 June 2017

30

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Europe PubMed Central

PubMed publication ID

29 June 2017

10

1 reference

Europe PubMed Central

PubMed publication ID

29 June 2017

885-895

1 reference

Europe PubMed Central

PubMed publication ID

29 June 2017

ADMET in silico modelling: towards prediction paradise?

1 reference

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In silico prediction of drug properties

1 reference

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On the interpretation and interpretability of quantitative structure-activity relationship models

1 reference

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Interpretable correlation descriptors for quantitativestructure-activity relationships

1 reference

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A comparative study on feature selection methods for drug discovery.

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Classification of highly unbalanced CYP450 data of drugs using cost sensitive machine learning techniques

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Differential Shannon entropy analysis identifies molecular property descriptors that predict aqueous solubility of synthetic compounds with high accuracy in binary QSAR calculations.

1 reference

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Classification of kinase inhibitors using a Bayesian model

1 reference

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A naive bayes classifier for prediction of multidrug resistance reversal activity on the basis of atom typing.

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201100069

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Naïve Bayes classification using 2D pharmacophore feature triplet vectors

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201100069

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On Information and Sufficiency

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201100069

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Divergence measures based on the Shannon entropy

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201100069

21 January 2018

Gradual in silico filtering for druglike substances

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201100069

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Summary of information on human CYP enzymes: human P450 metabolism data

1 reference

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

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201100069

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Ligand-based models for the isoform specificity of cytochrome P450 3A4, 2D6, and 2C9 substrates.

1 reference

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Empirical regioselectivity models for human cytochromes P450 3A4, 2D6, and 2C9.

1 reference

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CypScore: Quantitative prediction of reactivity toward cytochromes P450 based on semiempirical molecular orbital theory

1 reference

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Classification of cytochrome p(450) activities using machine learning methods.

1 reference

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Similarity Based Descriptors - Useful for Classification of Substrates of the Human Multidrug Transporter P-Glycoprotein?

1 reference

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21 January 2018

On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics: towards the prediction of human p450 substrate specificity and metabolism

1 reference

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8 April 2023

Ridge Regression: Biased Estimation for Nonorthogonal Problems

1 reference

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Structure-based methods for the prediction of the dominant P450 enzyme in human drug biotransformation: consideration of CYP3A4, CYP2C9, CYP2D6

1 reference

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8 April 2023

Evaluation of descriptors and classification schemes to predict cytochrome substrates in terms of chemical information

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201100069

8 April 2023

A novel approach to predicting P450 mediated drug metabolism. CYP2D6 catalyzed N-dealkylation reactions and qualitative metabolite predictions using a combined protein and pharmacophore model for CYP2D6

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201100069

8 April 2023

Novel approach to predicting P450-mediated drug metabolism: development of a combined protein and pharmacophore model for CYP2D6

1 reference

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8 April 2023

Separating drugs from nondrugs: a statistical approach using atom pair distributions

1 reference

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8 April 2023

Identifiers

10.1002/MINF.201100069

1 reference

Europe PubMed Central

PubMed publication ID

29 June 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

29 June 2017

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