(Q44040193)

8 January 2018

title

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry (English)

1 reference

8 January 2018

United States Environmental Protection Agency

main subject

0 references

chemical structure

0 references

database

0 references

environmental chemistry

0 references

0 references

1

1 reference

8 January 2018

Andrew D McEachran

4

1 reference

8 January 2018

Kamel Mansouri

5

1 reference

8 January 2018

Christopher M Grulke

Christopher M Grulke

2

0 references

Imran Shah

Imran Shah

8

0 references

John F. Wambaugh

John F Wambaugh

9

0 references

Grace Patlewicz

Grace Patlewicz

7

0 references

Richard S. Judson

10

Richard S Judson

1 reference

8 January 2018

Ann M Richard

11

Ann M Richard

1 reference

8 January 2018

author name string

Jeff Edwards

3

1 reference

8 January 2018

Nancy C Baker

6

1 reference

8 January 2018

language of work or name

English

0 references

publication date

28 November 2017

1 reference

8 January 2018

Journal of Cheminformatics

published in

1 reference

8 January 2018

volume

9

1 reference

8 January 2018

page(s)

61

1 reference

8 January 2018

issue

1

1 reference

8 January 2018

Creative Commons Attribution 4.0 International

copyright license

start time

28 November 2017

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

exact match

https://scigraph.springernature.com/pub.10.1186/s13321-017-0247-6

0 references

cites work

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Characterization and prediction of chemical functions and weight fractions in consumer products

25 May 2018

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Identifying populations sensitive to environmental chemicals by simulating toxicokinetic variability

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Open Science for Identifying “Known Unknown” Chemicals

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Identifying known unknowns using the US EPA's CompTox Chemistry Dashboard

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

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

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

tcpl: the ToxCast pipeline for high-throughput screening data

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Informing the Human Plasma Protein Binding of Environmental Chemicals by Machine Learning in the Pharmaceutical Space: Applicability Domain and Limits of Predictability

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Systematically evaluating read-across prediction and performance using a local validity approach characterized by chemical structure and bioactivity information.

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

MetFrag relaunched: incorporating strategies beyond in silico fragmentation

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Incorporating High-Throughput Exposure Predictions With Dosimetry-Adjusted In Vitro Bioactivity to Inform Chemical Toxicity Testing

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Toxicokinetic Triage for Environmental Chemicals

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

High throughput heuristics for prioritizing human exposure to environmental chemicals

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Big data in chemical toxicity research: the use of high-throughput screening assays to identify potential toxicants

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

The ChEMBL bioactivity database: an update

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Improving the human hazard characterization of chemicals: a Tox21 update

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Update on EPA's ToxCast program: providing high throughput decision support tools for chemical risk management.

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

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

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

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

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

PubChem's BioAssay Database

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Integration of dosimetry, exposure, and high-throughput screening data in chemical toxicity assessment

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

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

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

In vitro screening of environmental chemicals for targeted testing prioritization: the ToxCast project

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

LC-high resolution MS in environmental analysis: from target screening to the identification of unknowns

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

HMDB: the Human Metabolome Database

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

The ToxCast program for prioritizing toxicity testing of environmental chemicals

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Chemical structure indexing of toxicity data on the internet: moving toward a flat world

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Distributed structure-searchable toxicity (DSSTox) public database network: a proposal

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Suspect screening and non-targeted analysis of drinking water using point-of-use filters.

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Consumer product chemical weight fractions from ingredient lists.

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

The 24th annual Nucleic Acids Research database issue: a look back and upcoming changes.

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

SHEDS-HT: an integrated probabilistic exposure model for prioritizing exposures to chemicals with near-field and dietary sources

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Strategies to characterize polar organic contamination in wastewater: exploring the capability of high resolution mass spectrometry

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Development of a consumer product ingredient database for chemical exposure screening and prioritization

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

High-throughput models for exposure-based chemical prioritization in the ExpoCast project.

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Validation of a prediction model for estimating serum concentrations of chemicals which are equivalent to toxic concentrations in vitro

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

Direct measurement of octanol-water partition coefficients of some environmentally relevant brominated diphenyl ether congeners

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5705535

High-throughput screening of chemicals as functional substitutes using structure-based classification models

15 August 2018

1 reference

Crossref

https://api.crossref.org/works/10.1186%2FS13321-017-0247-6

httk: R Package for High-Throughput Toxicokinetics

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1186%2FS13321-017-0247-6

ACToR — Aggregated Computational Toxicology Resource

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1186%2FS13321-017-0247-6

Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA.

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/29185060

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

OPERA models for predicting physicochemical properties and environmental fate endpoints.

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/29185060

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products.

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/29185060

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

The double-edged sword of decentralized energy autonomy

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-017-0247-6

10.1186/S13321-017-0247-6

5 February 2023

Identifiers

DOI

1 reference

8 January 2018

journals/jcheminf/WilliamsGEMMBPS17

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

8 January 2018

PubMed ID

29185060

1 reference

8 January 2018