(Q30657218)

English

From data point timelines to a well curated data set, data mining of experimental data and chemical structure data from scientific articles, problems and possible solutions

scientific article

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scholarly article

1 reference

Europe PubMed Central

26 June 2017

From data point timelines to a well curated data set, data mining of experimental data and chemical structure data from scientific articles, problems and possible solutions (English)

1 reference

Europe PubMed Central

26 June 2017

0 references

1 reference

based on heuristic

inferred from title

author name string

Villu Ruusmann

1

1 reference

Europe PubMed Central

26 June 2017

Uko Maran

2

1 reference

Europe PubMed Central

26 June 2017

publication date

25 July 2013

1 reference

Europe PubMed Central

26 June 2017

Journal of Computer - Aided Molecular Design

1 reference

Europe PubMed Central

26 June 2017

27

1 reference

Europe PubMed Central

26 June 2017

583-603

1 reference

Europe PubMed Central

26 June 2017

7

1 reference

Europe PubMed Central

26 June 2017

https://scigraph.springernature.com/pub.10.1007/s10822-013-9664-4

0 references

Assessing toxicological data quality: basic principles, existing schemes and current limitations

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Best Practices for QSAR Model Development, Validation, and Exploitation

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

A quality alert and call for improved curation of public chemistry databases

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Data governance in predictive toxicology: A review

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Predictive correlations for the toxicity of alkyl- and halogen- substituted phenols.

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Relationships of quantitative structure-activity to comparative toxicity of selected phenols in the Pimephales promelas and Tetrahymena pyriformis test systems

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Structure-activity relationships of selected pyridines. III. Log Kow analysis

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Structure-toxicity relationships for nonpolar narcotics: a comparison of data from the tetrahymena, photobacterium and pimephales systems

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Toxicological assessment of biotransformation products of pentachlorophenol: Tetrahymena population growth impairment.

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Quantitative structure-activity study of the toxicity of benzonitriles to the ciliate Tetrahymena pyriformis.

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Model-based QSAR for ionizable compounds: toxicity of phenols against Tetrahymena pyriformis.

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Structure-toxicity relationships for phenols to Tetrahymena pyriformis

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

A novel QSAR approach for estimating toxicity of phenols.

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Development of quantitative structure-activity relationships for the toxicity of aromatic compounds to Tetrahymena pyriformis: comparative assessment of the methodologies.

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Parametrization of electrophilicity for the prediction of the toxicity of aromatic compounds

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Reproducibility of toxicity across mode of toxic action in the Tetrahymena population growth impairment assay

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Structure-toxicity analyses of Tetrahymena pyriformis exposed to pyridines -- an examination into extension of surface-response domains

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Subcellular pharmacokinetics and its potential for library focusing

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Probabilistic neural network modeling of the toxicity of chemicals to Tetrahymena pyriformis with molecular fragment descriptors.

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Structure-toxicity relationships for aliphatic chemicals evaluated with Tetrahymena pyriformis.

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Regression comparisons of Tetrahymena pyriformis and Poecilia reticulata toxicity

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Structure-toxicity relationships for methyl esters of cyanoacetic acids to Tetrahymena pyriformis

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Stepwise discrimination between four modes of toxic action of phenols in the Tetrahymena pyriformis assay.

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Partial Least Squares Modelling of the Acute Toxicity of Aliphatic Compounds to Tetrahymena pyriformis

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

An exploratory study of the use of multivariate techniques to determine mechanisms of toxic action

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Structure-toxicity relationships for the effects of N- and N,N'-alkyl thioureas to Tetrahymena pyriformis

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Interspecies quantitative structure-activity relationship model for aldehydes: aquatic toxicity.

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Population growth impairment of aliphatic alcohols to Tetrahymena

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Trends in structure-toxicity relationships for carbonyl-containing alpha,beta-unsaturated compounds

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Chemistry-toxicity relationships for the effects of di- and trihydroxybenzenes to Tetrahymena pyriformis

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Regression comparisons of aquatic toxicity of benzene derivatives: Tetrahymena pyriformis and Rana japonica

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

QSARs for the aquatic toxicity of aromatic aldehydes from Tetrahymena data

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Structure-toxicity relationships for the effects to Tetrahymena pyriformis of aliphatic, carbonyl-containing, alpha,beta-unsaturated chemicals

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Toxicity to Tetrahymena and abiotic thiol reactivity of aromatic isothiocyanates

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Aquatic toxicity and abiotic thiol reactivity of aliphatic isothiocyanates: Effects of alkyl-size and -shape

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Abiotic sulfhydryl reactivity: a predictor of aquatic toxicity for carbonyl-containing alpha,beta-unsaturated compounds.

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Thiol reactivity and its impact on the ciliate toxicity of α,β-unsaturated aldehydes, ketones, and esters

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Experimental reactivity parameters for toxicity modeling: application to the acute aquatic toxicity of SN2 electrophiles to Tetrahymena pyriformis

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

Reactivity-based toxicity modelling of five-membered heterocyclic compounds: application to Tetrahymena pyriformis

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

The Better Predictive Model: High q2 for the Training Set or Low Root Mean Square Error of Prediction for the Test Set?

1 reference

https://api.crossref.org/works/10.1007%2FS10822-013-9664-4

21 January 2018

QSAR analyses of the toxicity of aliphatic carboxylic acids and salts to Tetrahymena pyriformis

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Reactivity and aquatic toxicity of aromatic compounds transformable to quinone-type Michael acceptors

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-toxicity relationships of selected nitrogenous heterocyclic compounds II. Dinitrogen molecules

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-toxicity relationships for selected lactones to Tetrahymena pyriformis

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

QSARs for monosubstituted phenols and the polar narcosis mechanism of toxicity

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Correlations for the acute toxicity of multiple nitrogen substituted aromatic molecules

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Quantitative relationships of structure-activity and volume fraction for selected nonpolar and polar narcotic chemicals

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Response-surface analyses for toxicity to Tetrahymena pyriformis: reactive carbonyl-containing aliphatic chemicals

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-toxicity relationships for alkanones and alkenones

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Aquatic toxicities of halogenated benzoic acids to Tetrahymena pyriformis

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-toxicity relationships for selected halogenated aliphatic chemicals

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Relationships of quantitative structure—Activity for normal aliphatic alcohols

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-activity relationships for aquatic toxicity to Tetrahymena: halogen-substituted aliphatic esters

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identification of reactive toxicants: structure-activity relationships for amides

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Definition of the structural domain of the baseline non-polar narcosis model for Tetrahymena pyriformis

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Quantitative structure-activity relationships in fish toxicity studies. Part 1: relationship for 50 industrial pollutants

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-toxicity relationships for benzenes evaluated with Tetrahymena pyriformis

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comparison of Tetrahymena and Pimephales toxicity based on mechanism of action

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-toxicity relationships for unsaturated alcohols to Tetrahymena pyriformis: C5 and C6 analogs and primary propargylic alcohols

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

QSARs for selected aliphatic and aromatic amines

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-toxicity relationships for aminoalkanols: a comparison with alkanols and alkanamines

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Quantitative structure-toxicity relationships and volume fraction analyses for selected esters

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-activity relationships for abiotic thiol reactivity and aquatic toxicity of halo-substituted carbonyl compounds

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-toxicity relationships for unsaturated alcohols to Tetrahymena pyriformis: 3-alkyn-1-ols and 2-alken-1-ols

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The effect of precision of molecular orbital descriptors on toxicity modeling of selected pyridines

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-activity relationships of selected pyridines. I. Substituent constant analysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Correlation of Tetrahymena and Pimephales toxicity: evaluation of 100 additional compounds

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Quantitative structure-activity analyses of nitrobenzene toxicity to Tetrahymena pyriformis

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-toxicity relationships for selected naphthoquinones to Tetrahymena pyriformis

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-toxicity relationships of selected nitrogenous heterocyclic compounds

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Population growth impairment of sulfur-containing compounds to Tetrahymena pyriformis

1 reference

https://pubmed.ncbi.nlm.nih.gov/23884706

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1007/S10822-013-9664-4

1 reference

Europe PubMed Central

26 June 2017

DBLP publication ID

journals/jcamd/RuusmannM13

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

Europe PubMed Central

26 June 2017

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