(Q30085617)

English

An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling

scientific article published in November 2016

An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling.
An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling$

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scholarly article

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28 March 2020

An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling (English)

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Europe PubMed Central

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28 March 2020

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quantitative structure-activity relationship

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1 reference

based on heuristic

inferred from title

Antony John Williams

5

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28 March 2020

1

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28 March 2020

Christopher M Grulke

2

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28 March 2020

author name string

A M Richard

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28 March 2020

R S Judson

4

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28 March 2020

publication date

1 November 2016

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28 March 2020

SAR and QSAR in Environmental Research

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28 March 2020

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28 March 2020

939-965

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28 March 2020

11

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28 March 2020

InChI, the IUPAC International Chemical Identifier

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Principles of QSAR models validation: internal and external

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Comparison of different approaches to define the applicability domain of QSAR models.

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10 July 2022

Global QSAR modeling of logP values of phenethylamines acting as adrenergic alpha-1 receptor agonists.

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Evaluation of model predictive ability by external validation techniques

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On Outliers and Activity Cliffs - Why QSAR Often Disappoints

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10 July 2022

Open Source Bayesian Models. 2. Mining a "Big Dataset" To Create and Validate Models with ChEMBL.

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Genetic Algorithms for architecture optimisation of Counter-Propagation Artificial Neural Networks

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CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals

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Comments on the Definition of theQ2Parameter for QSAR Validation

1 reference

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Identifiers

10.1080/1062936X.2016.1253611

1 reference

Europe PubMed Central

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28 March 2020

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28 March 2020

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