Computational Toxicology Communities of Practice
Upcoming Webinars
Updates to the Web-based Interspecies Correlation Estimation (Web-ICE) application
The Web-based Interspecies Correlation Estimation (Web-ICE) modelling tool is a New Approach Methodology developed and applied by the US Environmental Protection Agency (US EPA) to predict acute toxicity for diverse species from limited surrogate species data. Web-ICE was developed to address data gaps in species sensitivity and reduce reliance on uncertainty factors in Ecological Risk Assessment (ERA). The Web-ICE application uses least squares regression of species sensitivity to predict acute toxicity to taxa for chemicals with limited measured toxicity data from the known toxicity of a surrogate species. The newly released Web-ICE v4.0 (https://www3.epa.gov/webice/) has over 4,700 models representing 478 aquatic animal species, over 100 models representing 69 algae species, and over 850 models for 156 species of terrestrial birds and mammals. Web-ICE Species Sensitivity Distribution (SSD) modules can be used to estimate toxicity to all predicted species from available surrogate species and create a distribution of species sensitivity. Probabilistic hazard levels are estimated from the SSD to provide a prescribed level of species protection with known uncertainty. The Web-ICE endangered species module uses species, genus, and family-level models to evaluate the acute sensitivity of threatened and endangered species from all available surrogates. The Bulk ICE modules are new with Web-ICE v4.0 and predict to all species, genus, and family-level models from all available surrogates to maximize the taxonomic diversity of modelled output. An overview of the application and its use within the US EPA will be demonstrated.
About the Series
EPA's Computational Toxicology Communities of Practice is composed of hundreds of stakeholders from over 50 public and private sector organizations (ranging from EPA, other federal agencies, industry, academic institutions, professional societies, nongovernmental organizations, environmental non-profit groups, state environmental agencies and more) who have an interest in using advances in computational toxicology and exposure science to evaluate the safety of chemicals.
The Communities of Practice is open to the public. Monthly webinars are held on the fourth Thursday of the month (occasionally rescheduled in November and December to accommodate holiday schedules), from 11 a.m. - 12 p.m. ET. Remote participation is available. For more information or to be added to the meeting email list, contact: Alexander "Sammy" Hanf.
Past Webinar Presentations
| Presentation File | Presented By | Date |
|---|---|---|
| Development of Chemical Categories for Per- And Polyfluoroalkyl Substances (PFAS) and The Proof-Of-Concept Approach to the Identification (pdf) (Video) | Grace Patlewicz (CCTE) | 2024/11/14 |
| Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) Version 8 (Video) | Carlie LaLone (CCTE) | 2024/10/31 |
|
Using Environmental RNA to Understand the Effects of Pollution on Aquatic Ecosystems (Video) |
Marissa Giroux (CEMM) | 2024/9/26 |
| The Scientific Underpinnings of the EPA Transcriptomic Assessment Product (ETAP) and Value of Information (VOI) Case Study (pdf) (Video) | Alison Harrill (CCTE) | 2024/8/22 |
| PFAS in "Real World" Samples (pdf) (Video) | Marina Evich and Anna Robuck (CEMM) | 2024/7/25 |
| The Chemical Transformation Simulator (Video) | Caroline Stevens (CEMM) | 2024/6/27 |
| ECOTOXicology Knowledgebase: Update with Ecologically Relevant Data for Emerging Contaminants (pdf) (Video) | Jennifer Olker (CCTE) | 2024/5/23 |
| Linkages between AOP key events with in vitro DNT assays: Examples of GABAergic and Glutamatergic modes of action (Video) | Emily Pitzer (CPHEA) | 2024/5/2 |
| Utilizing Suspect Screening Analysis Methods to Examine Pooled Human Serum Samples (pdf) (Video) | Katherine Phillips (CCTE) | 2024/3/28 |
| Recent Metabolomics Advancements: Standardization, NAMs, and MATCHING for Chemical Safety (pdf) (Video) |
Jonathan Mosley (CEMM) |
2024/2/22 |
| Software and Database Enhancements to ToxCast for Accessible Bioactivity Data for Toxicology (pdf) (Video) | Madison Feshuk (CCTE), Jason Brown (CCTE), Sarah Davidson-Fritz (CCTE), and Katie Paul Friedman (CCTE) | 2024/1/25 |
| Combining new approach methodologies and adverse outcome pathways for ecological risk-based screening and prioritization (pdf) (Video) | Dr. Daniel Villeneuve (CCTE) | 2023/12/7 |
| SeqAPASS Version 7 (Video) | Dr. Carlie LaLone (CCTE) | 2023/10/26 |
| Chemical Exposure Knowledgebase (ChemExpo) (pdf) (Video) | Drs. Katherine Phillips and Sakshi Handa (CCTE) | 2023/9/28 |
| A Machine Learning Model for PFAS Toxicokinetic Half-Life (pdf) (Video) | Dr. John Wambaugh (CCTE) | 2023/8/24 |
| Advanced Techniques for Identifying Novel Contaminants in Drinking Water using Non-Targeted Analysis (Video) | Dr. John Sloop (CCTE) | 2023/7/27 |
| The Effects of PFAS on Birds and How We Can Study Them (Video) | Dr. Matthew Etterson (CCTE) | 2023/6/29 |
| High-throughput exposure assessment in cell-based in vitro bioassays (Video) | Luise Henneberger, Department of Cell Toxicology, Helmholtz Centre for Environmental Research – UFZ, Leipzig, Germany | 2023/5/25 |
| CompTox Chemicals Dashboard V2.2 and Data Availability Using APIs (Video) | Nisha Sipes and Asif Rashid (CCTE) | 2023/4/20 |
|
Using Cheminformatics Approaches to Develop a Structure Searchable Database of Analytical Methods (Video) |
Antony Williams (CCTE) | 2023/3/23 |
|
Advancing Translational Applications and Acceptance of Human Organotypic Thyroid Assays (Video) |
Chad Deisenroth (CCTE) | 2023/2/23 |
| Toxicity Reference Database (ToxRefDB): Curating legacy in vivo toxicity data for the future (pdf) (Video) | Madison Feshuk (CCTE) | 2023/1/26 |
| Analysis of High-Throughput Profiling Assays in Chemical Safety Screening (pdf) (Video) | Dr. Logan Everett (CCTE) | 2022/10/27 |
|
Evaluating chemical alternatives using the Hazard Comparison Dashboard (Video) |
Dr. Todd Martin (CCTE) | 2022/9/22 |
|
High-throughput molecular profiling assays and potential applications in chemical risk assessment (Video) |
Dr. Joshua Harrill (CCTE) | 20222/8/25 |
|
Computational Biology and Predictive Toxicology of Neurovascular Morphogenesis (Video) |
Dr. Thomas Knudsen, CCTE | 2022/7/28 |
| The use of non-targeted analysis for rapid and emergency response: Demonstration through mock scenarios (Video) | Dr. John Sloop (CCTE) | 2022/6/23 |
| NAMs for Estrogenicity and Application of DNT NAMs by US EPA (Video) | Drs. Richard Judson and Tim Shafer (CCTE) | 2022/5/26 |
| Optimizing QSA/PR Model Interpretability, Stability & Performance (Video) | Dr. Nathaniel Charest, Chemical Modeler in the Office of Research and Development | 2022/4/28 |
| Computational approaches to integrate DNT NAMs for fit-for-purpose identification of DNT hazard (Video) | Dr. Kelly Carstens, Biologist in the Center for Computational Toxicology and Exposure | 2022/3/24 |
| Primer on New Versions of CompTox Chemicals Dashboard and Generalized Read-Across (Video) |
Dr. Antony Williams, Chemist in the Center for Computational Toxicology and Exposure |
2022/2/23 |
| Evaluating chemical contaminants in biosolids: A collaboration between EPA’s Center for Computational Toxicology and Exposure and EPA’s Office of Water slides (pdf) (Video) | Dr. Caroline Ring, Computational Exposure Scientist in the Center for Computational Toxicology and Exposure | 2022/1/27 |
| Mining of Consumer Product Ingredient and Purchasing Data to Identify Potential Chemical Co-exposures (pdf) |
Dr. Zachary Stanfield, Postdoctoral Research Scientist in the Center for Computational Toxicology and Exposure |
2021/8/26 |
|
A Proof-of-Concept Case Study Integrating Publicly Available Information to Screen Candidates for Chemical Prioritization under TSCA Slides (pdf) (Video) |
Dr. Maureen Gwinn, National Program Director for the Sustainable and Healthy Communities (SHC) Research Program |
2021/7/22 |
| Dr. Scott Kolmar, Post-Doctoral Researcher in the Center for Computational Toxicology and Exposure | 2021/6/24 | |
| Introduction to Systematic Review Slides (pdf) | Dr. Lucina Lizarraga, Post-Doctoral Researcher in EPA ORD's Center for Public Health and Environmental Assessment (CPHEA);
Dr. Brandy Beverly, Health Scientist at the National Institute of Environmental Health Sciences office of Health Assessment and Translation; Dr. Kris Thayer, Director of EPA's Chemical Pollutant Assessment Division; Dr. Michele Taylor, Toxicologist in EPA ORD's Center for Public Health and Environmental Assessment (CPHEA) |
2021/5/27 |
| Computational Toxicology and Exposure Communities of Practice: Semi-Quantitative Non-Targeted Analysis as a Rapid Risk Prioritization Tool: A Proof of Concept Using Activated Carbon Drinking Water Filter slides (pdf) | Dr. Louis Groff, ORISE Postdoctoral Researcher at the Center for Computational Toxicology and Exposure | 2021/4/22 |
| High-throughput toxicogenomic screening of chemicals in the environment using metabolically competent hepatic cell cultures (pdf) | Dr. John Wambaugh, Physical Scientist at the Center for Computational Toxicology and Exposure | 2021/3/25 |
| Laying the Groundwork for High-throughput Occupational Exposures - Data and Models (pdf) | Dr. Katherine Phillips, Physical Scientist in the Center for Computational Toxicology and Exposure | 2021/2/25 |
| The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology (pdf) | Dr. Ann Richard, Research Chemist at the Center for Computational Toxicology and Exposure | 2021/1/28 |
| SeqAPASS version 5.0: An emphasis on rapid data synthesis and interpretation slides (pdf) (video) | Dr. Carlie LaLone, Bioinformaticist, Center for Computational Toxicology and Exposure (CCTE) | 2020/12/3 |
| Celebrating Children’s Health Month - Researching Developmental Toxicity Models Slides (pdf) (video) | Dr. Thomas Knudsen, Developmental Systems Biologist, Center for Computational Toxicology and Exposure | 2020/10/22 |
| Informatics-Based Approaches for Managing and Curating Exposure Data Slides (pdf) (video) | Dr. Kathie Dionisio, Environmental Health Scientist in the Center for Computational Toxicology and Exposure and Dr. Kristin Isaacs, Research Physical Scientist in the Center for Computational Toxicology and Exposure | 2020/9/24 |
| Experimental variability and uncertainty in the context of new approach methodologies for potential use in chemical safety evaluation slides (pdf) (video) | Dr. Prachi Pradeep, ORISE Postdoctoral Fellow in the Center for Computational Toxicology and Exposure | 2020/8/27 |
| Where are we now? Celebrating the 10th Incremental Release of the CompTox Chemicals Dashboard Slides (pdf) (video) | Dr. Antony Williams, Chemist in the Center for Computational Toxicology and Exposure | 2020/7/23 |
| National Coastal Condition Assessment: Enhanced Surveys of the Great Lakes Slides (pdf) |
Dr. David Bolgrien, Research Biologist in the Center for Computational Toxicology and Exposure's Great Lakes Toxicology and Ecology Division |
2020/6/25 |
| High Throughput Screening and Environmental Risk Assessment – viewing the forest and a tree slides (pdf) (video) | Dr. Dan Villeneuve, Research Toxicologist in the Center for Computational Toxicology and Exposure's Great Lakes Toxicology and Ecology Division | 2020/5/28 |
| Modernizing the ECOTOXicology Knowledgebase slides (pdf) (video) | Dr. Jennifer Olker (Post-doctoral Researcher) and Colleen Elonen (ECOTOX Coordinator) - Great Lakes Toxicology and Ecology Division (GLTED), Center for Computational Toxicology and Exposure (CCTE) | 2020/4/23 |
| High Throughput Inhalation Toxicokinetics with the HTTK R Package slides (pdf) (video) | Dr. John Wambaugh, Physical Scientist in the Center for Computational Toxicology and Exposure (CCTE) | 2020/3/26 |
| Using the SSD Toolbox to account for interspecific variability in toxicity slides (pdf) (video) | Dr. Matthew Etterson, Ecologist in the Center for Computational Toxicology and Exposure (CCTE) | 2020/2/27 |
| The Evolution of the Sequence Alignment to Predict Across Species Susceptibility Tool slides (pdf) (Video) | Dr. Carlie LaLone, Bioinformaticist in the Center for Computational Toxicology and Exposure (CCTE) | 2020/1/23 |
|
A Comprehensive Primer for the CompTox Chemicals Dashboard (pdf) |
Dr. Antony Williams, Chemist in EPA's Center for Computational Toxicology and Exposure; Dr. Katie Paul-Friedman, Toxicologist in EPA's Center for Computational Toxicology and Exposure; Dr. John Wambaugh, Physical Scientist in the Center for Computational Toxicology and Exposure; Dr. Kristin Isaacs, Research Physical Scientist in EPA's Center for Computational Toxicology and Exposure; Dr. Kathie Dionisio, Environmental Health Scientist in EPA’s Center for Computational Toxicology and Exposure; Dr. Grace Patlewicz, Chemist in the Center for Computational Toxicology and Exposure; Dr. Nancy Baker, Chemical literature informatics researcher at Leidos, contractor to the U.S. EPA Center for Computational Toxicology and Exposure |
2019/11/21 |
|
The NCATS BioPlanet – an integrated platform for exploring the universe of cellular signaling pathways slides (pdf) (Video) |
Dr. Ruili Huang, Senior Informatics Scientist in the National Center for Advancing Translational Sciences (NCATS) |
2019/10/24 |
| Accelerating the Pace of Chemical Risk Assessment (APCRA) Through International Collaborative Case Studies slides (pdf) (Video) | Dr. Maureen Gwinn, Senior Science Advisor in the National Center for Computational Toxicology and Dr. Katie Paul-Friedman, Toxicologist in the National Center for Computational Toxicology | 2019/9/26 |
|
Polypharmacology in chemical-induced toxicity using ToxCast and Tox21 data slides (pdf) (Video) |
Dr. Samar Mahmoud, Computational Toxicologist/Chemist at Cambridge University |
2019/8/22 |
| BioCompute: A Standardized Method to Communicate Bioinformatic Workflow Information and Ease Organizational Burden (pdf) (Video) | Dr. Jonathon Keeney, Managing Director for BioCompute's Executive Steering Committee and Dr. Holly Stephens, Genomic Data Scientist at Booz Allen Hamilton | 2019/7/25 |
| The High Throughput Toxicokinetic (HTTK) R Package (pdf) (Video) | Dr. John Wambaugh, Physical Scientist in the National Center for Computational Toxicology | 2019/6/27 |
| Dr. Jason Lambert, Senior Science Advisor in the National Center for Computational Toxicology | 2019/5/23 | |
| OPEn structure-activity Relationship App (OPERA) Powerpoint (pdf) (Video) | Dr. Kamel Mansouri, Lead Computational Chemist contractor for Integrated Laboratory Systems in the National Institute of Environmental Health Sciences | 2019/4/25 |
|
CompTox Chemicals Dashboard and InVitroDB V3.1 (pdf) (Video) |
Dr. Antony Williams, Chemist in EPA's National Center for Computational Toxicology and Dr. Katie Paul-Friedman, Toxicologist in EPA's National Center for Computational Toxicology | 2019/3/28 |
|
The Systematic Empirical Evaluation of Models (SEEM) framework (pdf) (Video) |
Dr. John Wambaugh, Physical Scientist in EPA's National Center for Computational Toxicology |
2019/2/28 |
| ToxValDB: A comprehensive database of quantitative in vivo study results from over 25,000 chemicals (pdf) (Video) | Dr. Richard Judson, Research Chemist in EPA's National Center for Computational Toxicology | 2018/12/20 |
| Sequence Alignment to Predict Across Species Susceptibility (seqAPASS) (pdf) (Video) |
Dr. Carlie LaLone, Bioinformaticist, EPA's National Health and Environmental Effects Research Laboratory |
2018/11/29 |
| Chemicals and Products Database (pdf) (Video) | Dr. Kathie Dionisio, Environmental Health Scientist, EPA’s National Exposure Research Laboratory | 2018/10/25 |
| CompTox Chemicals Dashboard V3 (pdf) (Video) | Dr. Antony Williams, Chemist, EPA National Center for Computational Toxicology (NCCT). | 2018/09/27 |
| Generalized Read-Across (GenRA) (pdf) (Video) | Dr. Grace Patlewicz, Chemist, EPA National Center for Computational Toxicology (NCCT). | 2018/08/23 |
| Monica Linnenbrink, Strategic Outreach and Communication lead, EPA National Center for Computational Toxicology (NCCT). | 2018/07/26 | |
|
Genesis and Study Design for EPA’s Non-Targeted Analysis Collaborative Trial (ENTACT) (pdf) (Video) |
Elin Ulrich, Research Chemist in the Public Health Chemistry Branch, EPA National Exposure Research Laboratory (NERL). | 2018/06/28 |
| ECOTOX Knowledgebase: New Tools and Data Visualizations (pdf) (Video) | Colleen Elonen, Translational Toxicology Branch, and Dr. Jennifer Olker, Systems Toxicology Branch, in the Mid-Continent Ecology Division of EPA's National Health & Environmental Effects Research Laboratory (NHEERL) | 2018/05/24 |
| Investigating Chemical-Microbiota Interactions in Zebrafish (Video) | Tamara Tal, Biologist in the Systems Biology Branch, Integrated Systems Toxicology Division, EPA's National Health & Environmental Effects Research Laboratory (NHEERL) | 2018/04/26 |
| The CompTox Chemistry Dashboard v2.6: Delivering Improved Access to Data and Real Time Predictions (pdf) (Video) | Tony Williams, Computational Chemist, EPA's National Center for Computational Toxicology (NCCT) | 2018/03/29 |
| mRNA Transfection Retrofits Cell-based Assays with Xenobiotic Metabolism (pdf)(Video* Audio starts at 10:17) | Steve Simmons, Research Toxicologist, EPA's National Center for Computational Toxicology (NCCT) | 2018/02/22 |
| Development and Distribution of ToxCast and Tox21 HTS Assay Method Descriptions (pdf)(Video) | Stacie Flood, National Student Services Contractor, EPA's National Center for Computational Toxicology (NCCT) | 2018/01/25 |