PMID- 29377626
OWN - NLM
STAT- MEDLINE
DCOM- 20190110
LR  - 20190110
IS  - 1868-1751 (Electronic)
IS  - 1868-1743 (Linking)
VI  - 37
IP  - 5
DP  - 2018 May
TI  - Tox21 Enricher: Web-based Chemical/Biological Functional Annotation Analysis Tool 
      Based on Tox21 Toxicity Screening Platform.
PG  - e1700129
LID - 10.1002/minf.201700129 [doi]
AB  - The US Toxicology Testing in the 21st Century (Tox21) program was established to 
      develop more efficient and human-relevant toxicity assessment methods. The Tox21 
      program screens >10,000 chemicals using quantitative high-throughput screening 
      (qHTS) of assays that measure effects on toxicity pathways. To date, more than 70 
      assays have yielded >12 million concentration-response curves. The patterns of 
      activity across assays can be used to define similarity between chemicals. 
      Assuming chemicals with similar activity profiles have similar toxicological 
      properties, we may infer toxicological properties based on its neighbourhood. One 
      approach to inference is chemical/biological annotation enrichment analysis. 
      Here, we present Tox21 Enricher, a web-based chemical annotation enrichment tool 
      for the Tox21 toxicity screening platform. Tox21 Enricher identifies 
      over-represented chemical/biological annotations among lists of chemicals 
      (neighbourhoods), facilitating the identification of the toxicological properties 
      and mechanisms in the chemical set.
CI  - (c) 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
FAU - Hur, Junguk
AU  - Hur J
AUID- ORCID: 0000-0002-0736-2149
AD  - Biomedical Sciences, University of North Dakota, School of Medicine & Health 
      Sciences, Grand Forks, North Dakota, 58202, USA.
FAU - Danes, Larson
AU  - Danes L
AD  - Computer Sciences, University of North Dakota, Grand Forks, North Dakota, 58202, 
      USA.
FAU - Hsieh, Jui-Hua
AU  - Hsieh JH
AD  - National Toxicology Program, National Institute of Environmental Health Sciences, 
      Research Triangle Park, Durham, North Carolina, 27709, USA.
FAU - McGregor, Brett
AU  - McGregor B
AD  - Biomedical Sciences, University of North Dakota, School of Medicine & Health 
      Sciences, Grand Forks, North Dakota, 58202, USA.
FAU - Krout, Dakota
AU  - Krout D
AD  - Computer Sciences, University of North Dakota, Grand Forks, North Dakota, 58202, 
      USA.
FAU - Auerbach, Scott
AU  - Auerbach S
AD  - National Toxicology Program, National Institute of Environmental Health Sciences, 
      Research Triangle Park, Durham, North Carolina, 27709, USA.
LA  - eng
PT  - Journal Article
DEP - 20180129
PL  - Germany
TA  - Mol Inform
JT  - Molecular informatics
JID - 101529315
RN  - 0 (Small Molecule Libraries)
SB  - IM
MH  - High-Throughput Screening Assays/methods
MH  - Humans
MH  - *Quantitative Structure-Activity Relationship
MH  - Small Molecule Libraries/*chemistry/pharmacology/toxicity
MH  - *Software
MH  - Toxicity Tests/*methods
OTO - NOTNLM
OT  - Chemical enrichment analysis
OT  - Tox21
OT  - Toxicity screening
OT  - Web tool
OT  - quantitative High-throughput screening
EDAT- 2018/01/30 06:00
MHDA- 2019/01/11 06:00
CRDT- 2018/01/30 06:00
PHST- 2017/10/30 00:00 [received]
PHST- 2018/01/12 00:00 [accepted]
PHST- 2018/01/30 06:00 [pubmed]
PHST- 2019/01/11 06:00 [medline]
PHST- 2018/01/30 06:00 [entrez]
AID - 10.1002/minf.201700129 [doi]
PST - ppublish
SO  - Mol Inform. 2018 May;37(5):e1700129. doi: 10.1002/minf.201700129. Epub 2018 Jan 
      29.