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Records 1 to 25 of 256 records about 'antony williams' published after 01/07/2015

Antony Williams, the ChemConnector: A career path through a diverse series of roles and responsibilities
(PRESENTATION) [Presented : Apr 04, 2019]
Antony Williams is a Computational Chemist at the US Environmental Protection Agency in the National Center for Computational Toxicology. He has been involved in cheminformatics and the dissemination of chemical information for over thirty years. He has worked at a university as ...
20190825 - Personal Experiences and Suggested Rules of Engagement After Ten Years on the Social Network (ACS Fall 2019)
(PRESENTATION) [Presented : Aug 29, 2019]
There are many platforms available today for us, as scientists, to network and develop a community around our science. Increasingly scientists share their activities and opinions with their peers and an increasing number use these tools with the hope that they help them build a p...
The needs for chemistry standards, database tools and data curation at the chemical-biology interface (SLAS meeting)
(PRESENTATION) [Presented : Jan 26, 2016]
This presentation will highlight known challenges with the production of high quality chemical databases and outline recent efforts made to address these challenges. Specific examples will be provided illustrating these challenges within the U.S. Environmental Protection Agency ...
Five Years of Helping Chemists to Create an Online Presence Using Freely Available Resources (ACS Fall meeting 1 of 12)
(PRESENTATION) [Presented : Aug 24, 2017]
For over twenty-five years Antony Williams has been delivering presentations to chemists about how to utilize freely available websites to help create an online presence. Over the years he has presented on LinkedIn for a professional CV, ResearchGate for sharing papers and resear...
Profile Building, Research Sharing and Data Proliferation using Social Media Tools for Scientists (RTI presentation)
(PRESENTATION) [Presented : May 11, 2017]
Many of us nowadays invest significant amounts of time in sharing our activities and opinions with friends and family via social networking tools such as Facebook, Twitter or other related websites. However, despite the availability of many platforms for scientists to connect and...
Twenty Five Years in Cheminformatics - A Career Path Through a Diverse Series of Roles and Responsibilities (INVITED TALK) (ACS Spring meeting)
(PRESENTATION) [Presented : Apr 02, 2017]
Antony Williams is a Computational Chemist at the US Environmental Protection Agency in the National Center for Computational Toxicology. He has been involved in cheminformatics and the dissemination of chemical information for over twenty-five years. He has worked for a Fortune ...
Identifying "known unknowns": A comparison between ChemSpider and the US EPA's CompTox Dashboard (ACS Spring National meeting) 1 of 7
(PRESENTATION) [Presented : Apr 06, 2017]
Non-targeted analysis (NTA) workflows in high-resolution mass spectrometry require mechanisms for compound identification. One strategy for tentative identification is the use of online chemical databases such as ChemSpider. Databases like this use molecular formulae and monois...
In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning
(JOURNAL) [Published : Jan 09, 2017]
There are little available toxicity data on the vast majority of chemicals in commerce. High-throughput screening (HTS) studies, such as those being carried out by the U.S. Environmental Protection Agency (EPA) ToxCast program in partnership with the federal Tox21 research progra...
Incorporating new technologies and high-throughput approaches in the design and selection of chemical alternatives (21st Annual Green Chemistry & Engineering Conference)
(PRESENTATION) [Presented : Jun 15, 2017]
Presentation at the 21st Annual Green Chemistry & Engineering Conference on Incorporating new technologies and high-throughput approaches in the design and selection of chemical alternatives
20190825 - CompTox Chemicals Dashboard providing access to experimental and predicted environmental fate and transport data (ACS Fall 2019)
(PRESENTATION) [Presented : Aug 29, 2019]
Access to both experimental and predicted environmental fate and transport data is facilitated by the US-EPA CompTox Chemicals Dashboard. Providing access to various types of data associated with ~900,000 chemical substances, the dashboard is a web-based application supporting co...
20190825 - Crafting Persistent Identifiers and Structure-based Representations in DSSTox as Surrogates for Chemical Names (ACS Fall 2 of 3)
(PRESENTATION) [Presented : Aug 29, 2019]
Nomenclature has been key to the conveyance of chemically associated information between scientists for over a century, as well as in the unstructured data environments that existed prior to the development of large-scale chemical databases. EPA’s National Center of Comput...
20190825 - Delivering Web-based Access to data and Algorithms to Support Computational Toxicology: US EPA CompTox Chemicals Dashboard (ACS Fall 2019)
(PRESENTATION) [Presented : Aug 29, 2019]
The US-EPA National Center for Computational Toxicity (NCCT) has been generating data and building software applications and web-based chemistry databases for over a decade. During this period the center has analyzed thousands of chemicals in hundreds of bioassays, has researched...
20190825 - Delivering an integrated data hub for per- and polyfluoroalkyl (PFAS) chemicals via the US EPA CompTox Chemicals Dashboard (ACS Fall 2019)
(PRESENTATION) [Presented : Aug 29, 2019]
There is increasing interest in the environmental impact of per- and polyfluoroalkyl substances (PFAS) chemicals and the aggregation of related data provides both agency and public access to support research. The US-EPA’s CompTox Chemicals Dashboard (https://comptox.epa.gov...
20190825 - Does Bigger Mean Better in the World of Chemistry Databases? (ACS Fall 2019)
(PRESENTATION) [Presented : Aug 29, 2019]
The internet has changed the way we access chemistry data as well as providing access to data that can quickly proliferate and becomes referenceable. Web access to chemical structures and their integration with biological data has become massively enabling with numbers for UniChe...
20190825 - Facilitating community-based chemical curation by providing an Open Source version of the DSSTox chemical and list registration software that supports the EPA CompTox Chemicals Dashboard (ACS Fall 3 of 3)
(PRESENTATION) [Presented : Aug 29, 2019]
The Distributed Structure Searchable Toxicity (DSSTox) database serves as the chemical substance foothold that allows for the collection, integration, and surfacing of data in US-EPA’s CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard). Whereas the DSSTox proj...
20190825 - High-throughput experimental and computational technologies at the National Center for Computational Toxicology (ACS Fall 2019)
(PRESENTATION) [Presented : Aug 29, 2019]
The U.S. Environmental Protection Agency (EPA) is faced with the challenge of efficiently evaluating chemical safety often with access to only sparse toxicity data. The increasing number of chemicals found in commerce and the environment, together with the time and resource requi...
20190825 - Lessons Learned in Building the CompTox Chemicals Dashboard: Engineering a More Sustainable Web-based Chemical Database (ACS Fall 1 of 3)
(PRESENTATION) [Presented : Aug 29, 2019]
The development of the US-EPA’s CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard) has led to a remarkable advance in the availability of information for chemicals of environmental interest. The Dashboard is a publicly accessible website providing access to da...
20190825 - Non-Targeted Screening of Wastewater for Water Reuse using Mass Spectrometry (ACS Fall 2019)
(PRESENTATION) [Presented : Aug 29, 2019]
Non-Target Screening Using LC/Q-TOF MS and the EPA CompTox Chemical Dashboard is looking to detect compounds in water. It only detects LC/MS amenable compounds, so other techniques are needed (GC/MS). In this presentation we will be demonstrating Feasibility of Concept using the ...
20190825 - Non-targeted analysis supported by data and cheminformatics delivered via the US EPA CompTox Chemicals Dashboard (ACS Fall 2019)
(PRESENTATION) [Presented : Aug 29, 2019]
Non-targeted analysis (NTA) uses high-resolution mass spectrometry to better understand the identity of a wide variety of chemicals present in environmental samples (and other matrices). However, data processing remains challenging due to the vast number of chemicals detected in ...
20190825 - The EPA CompTox Chemicals Dashboard to support structure identification and chemical forensics using mass spectrometry (ACS Fall 2019)
(PRESENTATION) [Presented : Aug 29, 2019]
High resolution mass spectrometry (HRMS) and non-targeted analysis (NTA) are of increasing interest in chemical forensics for the identification of emerging contaminants and chemical signatures of interest. At the US Environmental Protection Agency, our research using HRMS for no...
20190825 - US-EPA CompTox Chemicals Dashboard – integrating chemistry and biology data to serve computational toxicology and environmental science (ACS Fall 2019)
(PRESENTATION) [Presented : Aug 29, 2019]
The U.S. Environmental Protection Agency (EPA) Computational Toxicology Program utilizes computational and data-driven approaches that integrate chemistry, exposure and biological data to help characterize potential risks from chemical exposure. The National Center for Computatio...
20190825 - US-EPA Comptox Chemicals Dashboard to support mass spectrometry targeted and non-targeted analysis(ACS Fall 2019)
(PRESENTATION) [Presented : Aug 29, 2019]
High resolution mass spectrometry (HRMS) and non-targeted analysis (NTA) are advancing the identification of emerging contaminants in environmental matrices, improving the means by which exposure analyses can be conducted. However, confidence in structure identification of unkno...
20190825 - Using open data, open services, and open source software to deliver the EPA CompTox Chemicals Dashboard (ACS Fall 2019)
(PRESENTATION) [Presented : Aug 29, 2019]
The US EPA CompTox Chemicals Dashboard website provides access to various data types associated with ~900,000 chemical substances and supports the needs of the National Center for Computational Toxicology. The dashboard both consumes data, models and code from open sources as wel...
20190911 - Utilizing the US-EPA CompTox Chemicals Dashboard to deliver public access to a human volatilome subset of data (IABR)
(PRESENTATION) [Presented : Sep 11, 2019]
The EPA CompTox Chemicals Dashboard is a tool to make research easier. The dashboard represents the most recent advances in chemical database search and consolidation. The data and chemical information on the Dashboard are updated twice a year with newly curated chemicals. We are...
20191007 - A public database supporting evidence-based exposomics (NCSOT)
(PRESENTATION) [Presented : Oct 07, 2019]
To support identification of likely sources of chemicals found in biological media through non-targeted/suspect screening mass spectrometry analysis, our project adds substance relationships between chemicals and their transformation products to the CompTox Chemicals Dashboard. W...