(Q39541058)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27476456%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

title

A Kernel-Based Method for Assessing Uncertainty on Individual QSAR Predictions (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27476456%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27476456%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

Enrico Mombelli

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27476456%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

author name string

Cleo Tebby

series ordinal

1

1 reference

12 September 2017

Enrico Mombelli

series ordinal

2

1 reference

12 September 2017

publication date

25 September 2012

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27476456%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

published in

Molecular Informatics

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27476456%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

volume

31

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27476456%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

issue

10

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27476456%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

page(s)

741-751

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27476456%20AND%20SRC:MED&resulttype=core&format=json

A Risk Assessment Perspective of Current Practice in Characterizing Uncertainties in QSAR Regression Predictions

20 March 2020

cites work

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

Visual Interpretation of Kernel-Based Prediction Models.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

The CAESAR project for in silico models for the REACH legislation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

Substance-tailored testing strategies in toxicology: an in silico methodology based on QSAR modeling of toxicological thresholds and Monte Carlo simulations of toxicological testing.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

Towards optimization of chemical testing under REACH: a Bayesian network approach to Integrated Testing Strategies

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

QSAR study of C allosteric binding site of HCV NS5B polymerase inhibitors by support vector machine

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 2: Variation of the 2- and 6-pyridazinone substituents

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

21 January 2018

On Estimating Regression

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

Global Validation of Linear Model Assumptions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

Antiproliferative Pt(IV) complexes: synthesis, biological activity, and quantitative structure–activity relationship modeling

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FMINF.201200053

The importance of the domain of applicability in QSAR modeling

21 January 2018

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200053

Assessing the reliability of a QSAR model's predictions

8 April 2023

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200053

Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52

8 April 2023

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1002/MINF.201200053

8 April 2023

Identifiers

DOI

10.1002/MINF.201200053

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27476456%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

1 reference