(Q40290443)

19 September 2017

Beware of R(2): Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models (English)

1 reference

Quantitative Structure–Property Relationship

19 September 2017

1 reference

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26099013%20AND%20SRC:MED&resulttype=core&format=json

13 June 2020

David Winkler

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26099013%20AND%20SRC:MED&resulttype=core&format=json

13 June 2020

author name string

D L J Alexander

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26099013%20AND%20SRC:MED&resulttype=core&format=json

13 June 2020

A Tropsha

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26099013%20AND%20SRC:MED&resulttype=core&format=json

13 June 2020

publication date

9 July 2015

1 reference

Journal of Chemical Information and Modeling

19 September 2017

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26099013%20AND%20SRC:MED&resulttype=core&format=json

13 June 2020

volume

55

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26099013%20AND%20SRC:MED&resulttype=core&format=json

13 June 2020

issue

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26099013%20AND%20SRC:MED&resulttype=core&format=json

13 June 2020

page(s)

1316-1322

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26099013%20AND%20SRC:MED&resulttype=core&format=json

Some case studies on application of "r(m)2" metrics for judging quality of quantitative structure-activity relationship predictions: emphasis on scaling of response data

13 June 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4530125

Quantitative structure-property relationship modeling of diverse materials properties.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4530125

Bayesian regularization of neural networks

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4530125

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4530125

Trends and plot methods in MLR studies

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4530125

Three-dimensional quantitative similarity-activity relationships (3D QSiAR) from SEAL similarity matrices

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4530125

The rm2 metrics and regression through origin approach: reliable and useful validation tools for predictive QSAR models (Commentary on 'Is regression through origin useful in external validation of QSAR models?').

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4530125

Exhaustive QSPR studies of a large diverse set of ionic liquids: how accurately can we predict melting points?

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4530125

Are free energy calculations useful in practice? A comparison with rapid scoring functions for the p38 MAP kinase protein system

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4530125

Robust QSAR models using Bayesian regularized neural networks.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4530125

Is regression through origin useful in external validation of QSAR models?

20 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26099013

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Best Practices for QSAR Model Development, Validation, and Exploitation

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26099013

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/ACS.JCIM.5B00206

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26099013%20AND%20SRC:MED&resulttype=core&format=json

journals/jcisd/AlexanderTW15

13 June 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26099013%20AND%20SRC:MED&resulttype=core&format=json

13 June 2020

1 reference