Integrative chemical-biological read-across approach for chemical hazard classification (Q42921015)

11 November 2017

Integrative chemical-biological read-across approach for chemical hazard classification (English)

1 reference

11 November 2017

3

1 reference

11 November 2017

7

Alexander Tropsha

1 reference

11 November 2017

4

Alexander Golbraikh

1 reference

11 November 2017

2

Alexander Sedykh

1 reference

11 November 2017

6

Ivan Rusyn

1 reference

11 November 2017

Yen Low

1

1 reference

PMCID

3818153

11 November 2017

Maurice Whelan

series ordinal

5

1 reference

11 November 2017

5 August 2013

1 reference

Chemical Research in Toxicology

11 November 2017

1 reference

11 November 2017

26

1 reference

11 November 2017

1199-1208

1 reference

11 November 2017

8

1 reference

ToxPi GUI: an interactive visualization tool for transparent integration of data from diverse sources of evidence

11 November 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Chemoinformatics and chemical genomics: potential utility of in silico methods

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Aggregating data for computational toxicology applications: The U.S. Environmental Protection Agency (EPA) Aggregated Computational Toxicology Resource (ACToR) System

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Predictive modeling of chemical hazard by integrating numerical descriptors of chemical structures and short-term toxicity assay data

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Application of computational toxicological approaches in human health risk assessment. I. A tiered surrogate approach

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

The challenges involved in modeling toxicity data in silico: a review

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Quantitative high-throughput screening for chemical toxicity in a population-based in vitro model

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Predicting drug-induced hepatotoxicity using QSAR and toxicogenomics approaches

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Quantitative read-across for predicting the acute fish toxicity of organic compounds

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Use of in vitro HTS-derived concentration-response data as biological descriptors improves the accuracy of QSAR models of in vivo toxicity

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Molecular model of anticonvulsant drug binding to the voltage-gated sodium channel inner pore

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

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

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

The Japanese toxicogenomics project: application of toxicogenomics

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Integrating (Q)SAR models, expert systems and read-across approaches for the prediction of developmental toxicity

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

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

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

A benefit-risk assessment of benzbromarone in the treatment of gout. Was its withdrawal from the market in the best interest of patients?

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Use of cell viability assay data improves the prediction accuracy of conventional quantitative structure-activity relationship models of animal carcinogenicity

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

The liver pharmacological and xenobiotic gene response repertoire

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Activating effect of benzbromarone, a uricosuric drug, on peroxisome proliferator-activated receptors

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

On Outliers and Activity Cliffs - Why QSAR Often Disappoints

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Peroxisome proliferator-activated receptors (PPARs) and ovarian function--implications for regulating steroidogenesis, differentiation, and tissue remodeling

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

The Ames Salmonella/microsome mutagenicity assay

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

A comprehensive statistical analysis of predicting in vivo hazard using high-throughput in vitro screening

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Estimating toxicity-related biological pathway altering doses for high-throughput chemical risk assessment

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Toward a comprehensive molecular design framework for reduced hazard.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

A framework for using structural, reactivity, metabolic and physicochemical similarity to evaluate the suitability of analogs for SAR-based toxicological assessments.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Consensus QSAR models: do the benefits outweigh the complexity?

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

A gene expression biomarker provides early prediction and mechanistic assessment of hepatic tumor induction by nongenotoxic chemicals

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Influence of chloramphenicol on rat hepatic microsomal components and biomarkers of oxidative stress: protective role of antioxidants

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Anticonvulsant activity of hydrazones, Schiff and Mannich bases of isatin derivatives

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Novel variable selection quantitative structure--property relationship approach based on the k-nearest-neighbor principle

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3818153

Quantitative and mechanistic read across for predicting the skin sensitization potential of alkenes acting via Michael addition

16 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23848138

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Best Practices for QSAR Model Development, Validation, and Exploitation

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23848138

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Approaches to Measure Chemical Similarity– a Review

1 reference

COCI

https://opencitations.net/index/api/v1/citations/10.1002/QSAR.200330831

18 January 2024

Identifiers

DOI

10.1021/TX400110F

1 reference

11 November 2017

1 reference

11 November 2017

1 reference

PMCID

3818153