(Q40914099)

24 September 2017

title

The Relative Importance of Domain Applicability Metrics for Estimating Prediction Errors in QSAR Varies with Training Set Diversity (English)

1 reference

24 September 2017

Robert P Sheridan

1

1 reference

24 September 2017

publication date

4 June 2015

1 reference

Journal of Chemical Information and Modeling

24 September 2017

published in

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24 September 2017

volume

55

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24 September 2017

issue

6

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24 September 2017

page(s)

1098-1107

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DPRESS: Localizing estimates of predictive uncertainty

24 September 2017

cites work

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/1758-2946-1-11

Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/1758-2946-5-27

Using beta binomials to estimate classification uncertainty for ensemble models

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/1758-2946-6-34

Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs

2 January 2022

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI7004093

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

1 reference

13 June 2022

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI100253R

Applicability Domain Dependent Predictive Uncertainty in QSAR Regressions

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1002/MINF.201200131

A Combinational Strategy of Model Disturbance and Outlier Comparison to Define Applicability Domain in Quantitative Structural Activity Relationship

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1002/MINF.201300161

The One-Class Classification Approach to Data Description and to Models Applicability Domain

8 April 2023

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1002/MINF.201000063

8 April 2023

Identifiers

DOI

10.1021/ACS.JCIM.5B00110

1 reference

journals/jcisd/Sheridan15

24 September 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference