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SDF Download Page
NTPBSI: National Toxicology Program Bioassay On-line Database
Structure-Index Locator File
** Version 4a, updated 15 September 2008
Update corresponds to chemical and Study Area content of NTP On-line Database Source Website as of 21 August 2008, with addition of 12 new records and corresponding studies in GeneTox or Carcinogenesis Study Areas.
NTP Bioassay On-line Database search page offers users the option of structure-searching the chemical portion of the NTP database through the DSSTox Structure-Browser.
NTPBSI substances have been deposited in PubChem and include URL links to chemical-specific NTP Study Pages.
Quick & Easy File Downloads: FTP Download Instructions
Description
New Users: For general information, see DSSTox Project Goals and About DSSTox. For additional information on DSSTox SDF (Structure Data Format) files and their use in Chemical Relational Databases, see More on SDF and More on CRDs.
Description: The National Toxicology Program makes available data from more than 500 two-year, two species, toxicology and carcinogenesis studies collected by the NTP and its predecessor, the National Cancer Institute's Carcinogenesis Testing Program. The NTP database also contains results collected on approximately 300 toxicity studies from shorter duration tests and from more than 2000 genetic toxicity studies, some of which include both in vitro and in vivo tests. In addition, test data from the immunotoxicity, genetic toxicity, and developmental toxicity studies are continually being added to this database. Data from these various studies are indexed on the NTP On-line Database 
by Chemical Name and CASRN and organized into 4 Study Areas. These data are publicly viewable and accessible from the NTP Website , hosted at the National Institute of Environmental Health Sciences (NIEHS) [choose the "Study Data Search" option].
The DSSTox NTPBSI Structure-Index Locator File offers the full complement of DSSTox Standard Chemical Fields for that portion of the NTP Bioassay On-line Database inventory related to explicit chemical exposures. NTPBSI also contains indicator fields for each of the 4 toxicity study areas (e.g., StudyArea_GeneTox) represented in the NTP On-line database (a value of "1" indicates study data availability for the chemical record, whereas a value of "0" indicates no study data). Additionally, NTPBSI contains URLs for each of the indexed NTP compounds (ChemicalPage_URL) linking a user directly to the NTP On-line Database Study index page for each compound. Updates of this DSSTox NTPBSI file are performed regularly in collaboration with the NTP Source Contact.
The DSSTox NTPBSI file enables structure-searching (structure/substructure/similarity) capability for the NTP Bioassay On-line Database from the DSSTox Structure-Browser and linkage back to the corresponding NTP On-line Database Study page for the retrieved compound. In addition, deposition of the DSSTox NTPBSI SDF into PubChem under the "EPA DSSTox" [sourcename] enables broad structure and analog-searching capabilities both across the entire DSSTox data inventory, and across the very large bioassay data inventory maintained within PubChem.
Toxicity data content DSSTox files, with overlapping structure-index content to NTPBSI, are being constructed in the areas of genetox (NTPGTZ) and immunotox (IMMTOX). Collaborations with the NTP High-Throughput Screening program are also currently underway involving publication of a structure-index file (NTPHTS) for a chemical data set (content largely overlapping with NTPBSI) submitted for bioassay screening at the NIH Molecular Libraries Roadmap - Chemical Genomics Center (NCGC) . See Coordinating Public Efforts and Work in Progress for additional information on DSSTox NTP collaborations.
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Source Website: NIEHS’s National Toxicology Program, NTP On-line Database Main Search Page: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm
Note: The NTP On-line Database is updated regularly. In contrast, the NTPBSI is a static file, but content will be updated to a new dated version at least quarterly in coordination with NTP Source Contact collaborators. Also, the NTPBSI file does not index the entire content of the NTP On-line Database, but only that content related to an explicit chemical exposure. NTP studies for non-chemical stressors such as electromagnetic field studies, or transgenic studies, etc., are not indexed in the DSSTox NTPBSI file but can be located on the NTP Bioassay On-line Database. |
Source Contact: National Institute of Environmental Health Sciences, National Toxicology Program: Beth Bowden, email: bowden1@niehs.nih.gov
DSSTox Standard Chemical Fields (19) * STRUCTURE_InChIKey field added in v2b
NTP_StudyArea_ImmunoTox
NTP_StudyArea_GeneTox
NTP_StudyArea_CancerChronicTox
NTP_StudyArea_DevelopToxNTP_StudyArea field entries = 1 or 0, indicating presence or absence of link to an electronic data page in NTP on-line database for each of 4 NTP study areas.
NTP_CAS_Code
Note_NTPBSI
ChemicalPage_URL field name changed in v3a
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NTPBSI Study Area Counts - 15 September 2008
NTP Toxicity Study Area Names
|
NTPBSI NTP_Study Area... |
Totals_v2 |
Totals_v3 |
Totals_v4 |
Bioassay |
_CancerChronicTox |
693 |
694 |
698 |
Immunology |
_ImmunoTox |
41 |
45 |
45 |
Developmental |
_DevelopTox |
69 |
70 |
70 |
Genetox |
_GeneTox |
2181 |
2186 |
2194 |
Total # Studies |
2984 |
2995 |
3007 |
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Version 4a Update: NTPBSI_v4a includes updated chemical records and Study Area indices from v3a, corresponding to changes to the NTP On-line Database Source Website content as of 21 August 2008. Additions of 12 chemical records with a total of 12 corresponding studies were made to NTP Study Areas “GeneTox” (8 studies) and “StandardTox and Carcinogenesis” (4 studies) – the latter formerly titled “Cancer and Chronic Tox” on the NTP website. There were no deletions or additions to ImmunoTox and Developmental Study Areas. One new addition to the GeneTox Study Area on the NTP website, “alpha-Lipoic acid”, is listed under a retired CAS [62-46-4] and is a duplicate of another NTP website entry – alpha-Lipoic acid, CAS [1077-28-7]; the record corresponding to the retired CAS was not included in NTPBSI_v4a.
For more information and version history, consult the NTPBSI_LogFile in the Download Table below.
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File Download Notes: The following files are offered in the DownLoad table below:
Log File (PDF) provides SDF data file version history and summary information (field, chemical counts, etc.), and a description of procedures and quality assurance checks used in SDF file creation;
You will need Adobe Acrobat Reader, available as a free download, to view the Adobe PDF files on this page. See EPA's PDF page to learn more about PDF, and for a link to the free Acrobat Reader.
Zip files may be decompressed using a utility such as WinZip. |
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These files constitute the main DSSTox products. Documentation Files use standard templates, and DSSTox Structure Data Files and DSSTox File Names adhere to strict formatting standards and conventions. For additional information, see More on DSSTox Standard Chemical Fields, Known Problems & Fixes, Chemical Information Quality Review Procedures, and How to Use DSSTox Files.
Quick & Easy File Downloads: FTP Download
Acknowledgements: The original DSSTox SDF file of the NTP Bioassay On-line Database was created by Jamie Burch (EPA/NC Central Univ Student COOP), with assistance provided by the William (Skip) Eastin and Beth Bowden of the NTP in compiling lists of Study Area indicators. Subsequent QA review and structure modifications were carried out by Maritja Wolf (Lockheed Martin, Contractor for EPA), with content update assisted by Ann Richard (EPA). Joe Roycroft (NTP) and Beth Bowden (NTP) provided helpful comments and suggestions in review of v2a. Additionally, we are extremely grateful to Beth Bowden and NTP support staff for helping us to reconcile website content for v3a, for incorporating suggested changes to the NTP website to assist users in better accessing content inventory, and for working with us to provide NTP website content updates at least quarterly.
DSSTox Citation: Burch, J., W.C. Eastin, B. Bowden, M.A. Wolf, and A.M. Richard (2008)
DSSTox National Toxicology Program Bioassay On-line Database Structure-Index Locator File: SDF File
and Documentation, Updated version: NTPBSI_v3a_2315_15Sep2008, www.epa.gov/ncct/dsstox/sdf_ntpbsi.html
Disclaimer: Every effort is made to ensure
that DSSTox SDF files and associated documentation are error-free, but
neither the DSSTox Source collaborators nor the EPA DSSTox project team
make guarantees of accuracy, nor are any of these persons to be held liable
for any subsequent use of these public data. The contents of this webpage
and supporting documents have been subjected to review by the EPA National
Center for Computational Toxicology and approved for
publication. Approval does not signify that the contents reflect the views
of the Agency, nor does mention of trade names or commercial products
constitute endorsement or recommendation for use.
EPA/600/C-06/011
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