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Computational Toxicology Research Program

About DSSTox

Acknowledgements, Collaborators, Advisors

Many persons within and outside of EPA contributed to the creation of the DSSTox structure data files and this website; others have subsequently joined the effort. A succession of talented graduate, undergraduate and high-school student EPA trainees provided technical support for this project since its initial conception in 11/00; they are the roots that enabled this project to grow and are listed under main Acknowledgements. The support and involvement of DSSTox Collaborators have given major substance to the project. Finally, Advisors have acted as reviewers, and offered ideas, advice, and encouragement, helping to guide the growth of this project into the future. Of the many listed below, four deserve special mention:

  • ClarLynda Williams, lead technician of this project from its inception to a few months before public launch, providing major intellectual contributions to all technical aspects of DSSTox development, expertly mentoring student trainees, and investing her considerable personal energy, talents, and enthusiasm to this public cause;
  • Jamie Burch, support technician for virtually all aspects of the DSSTox database project, providing invaluable assistance in the initial website development and launch, and subsequently in advancing the NIEHS NTP database collaborations;
  • Maritja Wolf, hired 8/04 as a full-time Lockheed Martin - Contractor to the EPA, assigned to the DSSTox project, bringing her keen organic chemist's eye and hard-working, perfectionist tendencies to improving the quality of our DSSTox databases and propelling this project forward;
  • Lois Swirsky-Gold, our first DSSTox Source database collaborator, owed a special debt of gratitude for her patience as we worked through initial stages of the project and for her invaluable assistance in creating and continuing to maintain the highest quality DSSTox product for the CPDB Summary Tables.

The DSSTox project was initiated within EPA's National Health and Environmental Effects Laboratory (NHEERL) in the Office of Research and Development (ORD). Since joining EPA's new Computational Toxicology Research Program in 2005, the project has broadened its objectives to addressing challenges of structure-indexing lists of chemicals within EPA programs, bringing a public structure-browsing capability to our effort, and supporting the NCCT ToxCast Research program. The strong support of NCCT management has been crucial to the further development and success of the DSSTox Project and is greatly appreciated.


DSSTox Project Leader
Mail Drop D343-03
National Center for Computational Toxicology
US Environmental Protection Agency
Research Triangle Park, NC 27711
Email: richard.ann@epa.gov
24 August 2007

Acknowledgements:

Students, EPA employees, and outside persons (other than main Collaborators) who have contributed technical expertise to the launch of the DSSTox project, including database construction, application scripts, website creation, art or website content, or technical applications support. Persons contributing expertise and assistance to the constructure of new DSSTox data files are not listed here, but are acknowledged on the specific SDF Download Page Acknowledgements.

EPA Technical assistance:

  • Maritja Wolf, EPA Senior Environmental Employment Program Contract Employee, 8/04-4/05; Lockheed Martin Senior Scientific Information Specialist, EPA Contractor, 5/05-present.
  • Jamie Burch, NC Central University Student Undergraduate COOP Trainee, DSSTox database technician, programmer, and lead website developer, 11/02-8/04; NC State University Toxicology Graduate Program - EPA COOP Trainee, 8/05-present.
  • ClarLynda Williams, NC Central University Student Undergraduate COOP Trainee, DSSTox lead technician and main coauthor, 12/00-8/03; NC State University Bioinformatics Graduate Program - EPA COOP Trainee, 8/05-present.
  • Stephen Little, EPA Research Chemist, Python Programmer, 10/04-present
  • Brian Rogers, NC Central University Student Undergraduate COOP Trainee, DSSTox database technician, 1/04-5/05
  • Camille Wright , NC Central University Student Undergraduate Volunteer, DSSTox database technician, programmer, 1/04-4/04
  • Audrey Evans, Environmental Careers Organization Undergraduate Student Trainee Program, Summer '03
  • Todd Stewart, UNC-Chapel Hill Student Undergraduate COOP Trainee, DSSTox database technician, 1/02-8/02
  • Nina Fields, Shaw University - EPA Research Trainee Mentorship Program for Minority High School Students, Summer '02
  • James Beidler, EPA Undergraduate Summer Student Employee Program, database technician and initial website development, Summer '01
  • Daniel Ohouba, Shaw University - EPA Research Trainee Mentorship Program for Minority High School Students, Summer '01
  • Adam Swank, EPA Research Chemist, database technical assistance
  • Dean Kanipe, Diana Marshall, Chuck Gaul, David Hollandsworth, Computer Sciences Corp (CSC), EPA website development contractor
  • Tom Transue, Lockheed Martin Corp., EPA Contractor, DSSTox Master migration to MySQL (2006) and DSSTox Structure-Browser development (2007)
  • David Hollandsworth, CSC Contractor to the US EPA, assistance with website hosting, link-checking, website updates (2005-present).
  • Chuck Gaul, CSC Contractor to the US EPA, graphics assistance (2007).

Application assistance:

  • Rich Talbot, CambridgeSoft ChemFinder
  • Gavin Shears, Michael Hachey, Advanced Chemistry Development (ACD) ChemFolder
  • Robin Martin and Peter Frank, Advanced Chemistry Development Technical Support Specialists, ChemFolder assistance and ChemBasic scripts for SDF processing
  • Steve Bryant, Jane Tseng, Yanli Wang, NIH PubChem Project (2005-present)

External site publishers contributing free distribution of pdf articles: exit EPA

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Collaborators:

DSSTox Sources of DSSTox published data files, persons with whom collaboration to publish a toxicity database has been initiated, or persons who have otherwise contributed scientifically and substantially to this effort.

  • Lois Swirsky-Gold, Director, UC-Berkeley Carcinogenic Potency Project, Berkeley, CA; CPDBAS; email: lois@potency.berkeley.edu (retired, 2007)
  • Thomas Slone, UC-Berkeley Carcinogenic Potency Project, Berkeley, CA; CPDBAS; email: tom@potency.berkeley.edu
  • Chris Russom, US EPA Mid-Continent Ecology Division, Duluth, MN; EPAFHM; email: russom.chris@epa.gov
  • Weida Tong, Director, Center for Toxicoinformatics, US FDA, National Center for Toxicological Research, Jefferson, AR; NCTRER, NCTRAR; email: wtong@nctr.fda.gov
  • Hong Fang, US FDA, National Center for Toxicological Research, Jefferson, AR; NCTRER, NCTRAR; email: hfang@nctr.fda.gov
  • Yin-Tak Woo, US EPA, Office of Pollution Prevention & Toxics, DBPCAN; email: woo.yintak@epa.gov
  • Errol Zeiger, Zeiger Consulting, formerly NIEHS National Toxicology Program, NTP Gene-Tox (NTPGTZ); email: zeiger@nc.rr.com
  • R. Daniel Benz, E. Matthews, J. Contrera, N. Kruhlak, US FDA, Center for Drug Evaluation & Research, Office of Pharmaceutical Science, Informatics and Computational Safety Analysis Staff, Maximum Recommended Therapeutic Dose Database (FDAMRD); contact emails: r.daniel.benz@fda.hhs.gov, matthewse@cder.fda.gov, naomi.kruhlak@fda.hhs.gov
  • Vijay Gombar, formerly Glaxo-SmithKline, NTP Gene-Tox (NTPGTZ)
  • Neal Carrielo, Glaxo-SmithKline, NTP Gene-Tox (NTPGTZ); email: nfc20355@GlaxoWellcome.com
  • Martin Barratt, Marlin Consultancy, Bedford, UK; UniLever Skin Sensitization Database (UNLVSS); email: martin.d.barratt@btinternet.com
  • Grace Patlewicz, UniLever UK; UniLever Skin Sensitization Database (UNLVSS); email: grace.patlewicz@unilever.com
  • Marcus Johnson, Senior Toxicologist, Integrated Laboratory Systems (ILS), ICVAM databases; email: mjackson@ils-inc.com
  • Brian Montague, US EPA, Office of Pollution & Pesticides, Pesticides eco-toxicity database (EPAPET); email: montague.brian@epa.gov
  • Chihae Yang, Product Development Director, LeadScope Inc., NTP Gene-Tox (NTPGTZ), CPDB review; email: cyang@leadscope.com
  • Julie Penzotti, Director, Computational Chemistry, Rational Discovery, ZEBET Acute toxicity database; email: penzotti@rationaldiscovery.com
  • Marc Nicklaus, Senior Scientist - Computational Chemistry, Chemoinformatics and Computer-Aided Drug Design, NIH National Cancer Institute, NCI Public Structure Browser hosting of DSSTox SDF files for structure-searching, contribution of NCI data fields, including IUPAC names; email: mn1@helix.nih.gov
  • Jay Tunkel, Associate Director, Environmental Science Center, Syracuse Research Corp, structure-searching of DSSTox SDF files; email: tunkel@syrres.com
  • Antony Williams, (formerly) VP Scientific Development and Marketing, Advanced Chemistry Development (ACD); currently associated with ChemSpider project (June 2007); email: antony.williams@chemspider.com
  • Tom Harrocks, CEO, Intuitive Software Solutions Inc, SDF Editor documentation
  • Steve Stein, Dmitrii Tchekhovskoi, Steve Heller, IUPAC/NIST InChI project; contact email: sstein@nist.gov
  • Alexander Tropsha, Professor & Acting Dept. Chair, UNC-CH School of Pharmacology, Chapel Hill, NC; email: tropsha@email.unc.edu
  • Michael Luster, Senior Scientist, Center for Disease Control, NIOSH (IMMTOX); email: myl6@CDC.GOV
  • Dori Germolec, NIEHS National Toxicology Program, RTP, NC (IMMTOX); email: germolec@niehs.nih.gov
  • Tudor Oprea, University of New Mexico, Albuquerque, NM; email: toprea@salud.unm.edu
  • Ray Tice, Cynthia Smith, NIEHS National Toxicology Program High Throughput Screening Program (NTPHTS): tice@niehs.nih.gov
  • Skip Eastin, Beth Bowden, Joe Roycroft, NIEHS National Toxicology Program Bioassay On-line Database (NTPBSI): bowden1@niehs.nih.gov
  • Gillian Backus, US EPA's National Center for Exposure Assessment, IRIS Workgroup (IRISTR): backus.gillian@epa.gov
  • EPA's National Center for Computational Toxicology: ToxCast group

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Advisors:

Persons other than collaborators who have inspired, advised, and supported this effort, and others who have provided assistance with quality review of documentation, databases, or website content.

  • Romualdo Benigni, Instituto Superiore di Sanita, Rome, Italy; email: rbenigni@iss.it
  • Christoph Helma, In-Silico Toxicology, Freiburg, Germany; email: helma@in-silico.de
  • William Welsh, Director Bioinformatics Institute, Robert Wood Johnson Medical School, UMDNJ, Piscataway, NJ; email: welshwj@umdnj.edu
  • Susan Bassett, former President, Bioreason, Santa Fe, NM
  • Dale Johnson, Chiron, Inc; email: dale_johnson@chiron.com
  • Ed Thompson, retired, formerly Director of Genetic Toxicology, Proctor & Gamble; initial demonstration product of structure-searchable relational database for genetic toxicology was early inspiration for this effort

EPA technical advisors and QA reviewers:

  • Denise Sailstad
  • Ralph Smialowicz
  • Carl Blackman
  • David DeMarini
  • Rob Dewoskin
  • Brian Garges
  • Tom Hughes
  • Stephen Little
  • Velva Milholland
  • Leonard Mole
  • Chandrika Moudgal
  • Stephen Nesnow
  • Russell Owen
  • Julian Preston
  • Susan Richardson
  • Ron Rogers
  • Patricia Schmieder
  • Pauline Wagner
  • Douglas Wolf
  • Keith Houck
  • Woody Setzer
  • Gillian Backus
  • Richard Judson

Outside technical advisors, QA reviewers, Error Reports:

  • Patricia de Cerqueira Lima, UNC-CH, School of Pharmacy, Chapel Hill, NC
  • M.Karthikeyan, UNC-CH, School of Pharmacy, Chapel Hill, NC
  • Matthew Clark, Locus Pharmaceuticals, Blue Bell, PA
  • Andreas Karwath, Inst. for Computer Science, Albert-Ludwigs-University Freiburg, Germany

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