On two novel parameters for validation of predictive QSAR models. (Q34983202)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19471190%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

title

On two novel parameters for validation of predictive QSAR models (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19471190%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19471190%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

author name string

Partha Pratim Roy

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19471190%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

Somnath Paul

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19471190%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

Indrani Mitra

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19471190%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

language of work or name

English

0 references

publication date

29 April 2009

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19471190%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19471190%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

volume

14

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19471190%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

issue

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19471190%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

page(s)

1660-1701

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19471190%20AND%20SRC:MED&resulttype=core&format=json

Creative Commons Attribution 4.0 International

29 January 2020

copyright license

start time

29 April 2009

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

Antagonists of the human CCR5 receptor as anti-HIV-1 agents. part 1: discovery and initial structure-activity relationships for 1 -amino-2-phenyl-4-(piperidin-1-yl)butanes

1 reference

12 December 2020

Quantitative structure-activity relationship methods: perspectives on drug discovery and toxicology

1 reference

12 December 2020

The impact of variable selection on the modelling of oestrogenicity

1 reference

12 December 2020

Comparative QSAR studies of CYP1A2 inhibitor flavonoids using 2D and 3D descriptors

1 reference

12 December 2020

Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection

1 reference

12 December 2020

Antagonists of the human CCR5 receptor as anti-HIV-1 agents. Part 4: synthesis and structure-activity relationships for 1-[N-(methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-(4-(N-(alkyl)-N-(benzyloxycarbonyl)amino)piperidin-1-yl)butanes

1 reference

12 December 2020

Promises and pitfalls of quantitative structure-activity relationship approaches for predicting metabolism and toxicity.

1 reference

12 December 2020

The Problem of Overfitting

1 reference

12 December 2020

QSPR checking and validation: a case study with hydroxy radical reaction rate constant

1 reference

12 December 2020

Development of quantitative structure-activity relationships and its application in rational drug design

1 reference

12 December 2020

Assessment of prediction confidence and domain extrapolation of two structure-activity relationship models for predicting estrogen receptor binding activity

1 reference

12 December 2020

Inference from clustering with application to gene-expression microarrays

1 reference

12 December 2020

Antagonists of the human CCR5 receptor as anti-HIV-1 agents. Part 2: structure-activity relationships for substituted 2-Aryl-1-[N-(methyl)-N-(phenylsulfonyl)amino]-4-(piperidin-1-yl)butanes

1 reference

12 December 2020

Assessing model fit by cross-validation.

1 reference

12 December 2020

QSTR with extended topochemical atom indices. 10. Modeling of toxicity of organic chemicals to humans using different chemometric tools.

1 reference

12 December 2020

Antagonists of the human CCR5 receptor as anti-HIV-1 agents. Part 3: a proposed pharmacophore model for 1-[N-(methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-[4-(substituted)piperidin-1-yl]butanes

1 reference

12 December 2020

QSTR with extended topochemical atom (ETA) indices. 9. Comparative QSAR for the toxicity of diverse functional organic compounds to Chlorella vulgaris using chemometric tools

1 reference

12 December 2020

1 reference

12 December 2020

QSAR in ecotoxicity: an overview of modern classification techniques

1 reference

12 December 2020

Selection of data sets for QSARs: analyses of Tetrahymena toxicity from aromatic compounds

1 reference

12 December 2020

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

1 reference

12 December 2020

Robust cross-validation of linear regression QSAR models

1 reference

12 December 2020

1 reference

12 December 2020

The quality of QSAR models: problems and solutions

1 reference

12 December 2020

On some aspects of validation of predictive quantitative structure-activity relationship models

1 reference

12 December 2020

Assessing the reliability of a QSAR model's predictions

1 reference

12 December 2020

External validation and prediction employing the predictive squared correlation coefficient test set activity mean vs training set activity mean.

1 reference

12 December 2020

Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs

1 reference

12 December 2020

10.3390/MOLECULES14051660

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19471190%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19471190%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

1 reference