(Q39410504)

11 September 2017

title

A Large-Scale Empirical Evaluation of Cross-Validation and External Test Set Validation in (Q)SAR. (English)

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11 September 2017

2

Christoph Helma

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Andreas Karwath

3

object named as

Andreas Karwath

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author name string

Martin Gütlein

1

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11 September 2017

Andreas Karwath

3

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11 September 2017

Stefan Kramer

4

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11 September 2017

publication date

3 June 2013

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11 September 2017

published in

Molecular Informatics

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11 September 2017

volume

32

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11 September 2017

issue

5-6

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11 September 2017

page(s)

516-528

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Principles of QSAR models validation: internal and external

11 September 2017

cites work

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200134

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Sample Selection Bias as a Specification Error

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Best Practices for QSAR Model Development, Validation, and Exploitation

21 January 2018

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Pitfalls of supervised feature selection

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Chemocentric informatics approach to drug discovery: identification and experimental validation of selective estrogen receptor modulators as ligands of 5-hydroxytryptamine-6 receptors and as potential cognition enhancers

21 January 2018

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21 January 2018

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The Elements of Statistical Learning

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Validation tools for variable subset regression

8 April 2023

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The WEKA data mining software: an update

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QSPR treatment of the soil sorption coefficients of organic pollutants

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Prediction of estrogenicity: validation of a classification model

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Identifiers

DOI

10.1002/MINF.201200134

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11 September 2017

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