(Q45792175)

English

Comparative analysis of local and consensus quantitative structure-activity relationship approaches for the prediction of bioconcentration factor

scientific article

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

16 December 2017

http://europepmc.org/abstract/MED/23410132

Comparative analysis of local and consensus quantitative structure-activity relationship approaches for the prediction of bioconcentration factor (English)

1 reference

Europe PubMed Central

PubMed publication ID

16 December 2017

http://europepmc.org/abstract/MED/23410132

quantitative structure-activity relationship

1 reference

based on heuristic

author name string

G Piir

1

1 reference

Europe PubMed Central

PubMed publication ID

16 December 2017

http://europepmc.org/abstract/MED/23410132

S Sild

2

1 reference

Europe PubMed Central

PubMed publication ID

16 December 2017

http://europepmc.org/abstract/MED/23410132

U Maran

3

1 reference

Europe PubMed Central

PubMed publication ID

16 December 2017

http://europepmc.org/abstract/MED/23410132

publication date

14 February 2013

1 reference

Europe PubMed Central

PubMed publication ID

16 December 2017

http://europepmc.org/abstract/MED/23410132

SAR and QSAR in Environmental Research

1 reference

Europe PubMed Central

PubMed publication ID

16 December 2017

http://europepmc.org/abstract/MED/23410132

24

1 reference

Europe PubMed Central

PubMed publication ID

16 December 2017

http://europepmc.org/abstract/MED/23410132

3

1 reference

Europe PubMed Central

PubMed publication ID

16 December 2017

http://europepmc.org/abstract/MED/23410132

175-199

1 reference

Europe PubMed Central

PubMed publication ID

16 December 2017

http://europepmc.org/abstract/MED/23410132

QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Local lazy regression: making use of the neighborhood to improve QSAR predictions

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Global, local and novel consensus quantitative structure-activity relationship studies of 4-(Phenylaminomethylene) isoquinoline-1, 3 (2H, 4H)-diones as potent inhibitors of the cyclin-dependent kinase 4.

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Local and global quantitative structure-activity relationship modeling and prediction for the baseline toxicity.

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

On the Use of Local and Global QSPRs for the Prediction of Physico-chemical Properties of Polybrominated Diphenyl Ethers

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

The proposal of architecture for chemical splitting to optimize QSAR models for aquatic toxicity

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Using Local Models to Improve (Q)SAR Predictivity

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Evaluation of quantitative structure-activity relationship modeling strategies: local and global models

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Theoretical descriptors in quantitative structure-affinity and selectivity relationship study of potent N4-substituted arylpiperazine 5-HT1A receptor antagonists

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Validated QSAR prediction of OH tropospheric degradation of VOCs: splitting into training-test sets and consensus modeling.

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Statistical external validation and consensus modeling: a QSPR case study for Koc prediction.

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Consensus QSAR Related to Global or MOA Models: Application to Acute Toxicity for Fish.

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Calculation of molecular lipophilicity: State-of-the-art and comparison of log P methods on more than 96,000 compounds

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Consensus QSAR models: do the benefits outweigh the complexity?

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Quantitative consensus of bioaccumulation models for integrated testing strategies

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

A new hybrid system of QSAR models for predicting bioconcentration factors (BCF).

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Base-line model for identifying the bioaccumulation potential of chemicals.

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

uses method in cited work

2 references

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

CiteULike CiTO annotations

2022

Virtual Computational Chemistry Laboratory – Design and Description

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Extended-connectivity fingerprints

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Least squares quantization in PCM

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Correlation of Boiling Points with Molecular Structure. 1. A Training Set of 298 Diverse Organics and a Test Set of 9 Simple Inorganics

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Legitimate utilization of large descriptor pools for QSPR/QSAR models.

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Correlation of the solubilities of gases and vapors in methanol and ethanol with their molecular structures

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Modeling the toxicity of chemicals to Tetrahymena pyriformis using heuristic multilinear regression and heuristic back-propagation neural networks.

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Open computing grid for molecular science and engineering

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Global versus local QSPR models for persistent organic pollutants: balancing between predictivity and economy

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Prediction of the adsorption capability onto activated carbon of a large data set of chemicals by local lazy regression method

1 reference

https://api.crossref.org/works/10.1080%2F1062936X.2012.762426

21 January 2018

Identifiers

10.1080/1062936X.2012.762426

1 reference

Europe PubMed Central

PubMed publication ID

16 December 2017

http://europepmc.org/abstract/MED/23410132

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

16 December 2017

http://europepmc.org/abstract/MED/23410132

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