CALL FOR PAPERS
Applications of Cheminformatics and Computational Chemistry in
253rd American Chemical Society National Meeting & Exposition
“Advanced Materials, Technologies, Systems & Processes”
San Francisco, California, April 2-6, 2017
Abstract Deadline: October 2016
Cheminformatics and computational chemistry have had an enormous impact in regards to providing environmental chemists and toxicologists access to data, information and knowledge. With an overwhelming array of online resources and an increasingly rich collection of software tools, the ability to source information continues to expand. Scientists typically seek chemical data in the form of chemical properties, their function and use, as well as information regarding their exposure potential, persistence in the environment and their transformation in environmental and biological systems. Commonly, the most pressing concern regarding chemicals is their potential as environmental toxicants. The increasing rate of production and release of new chemicals into commerce requires improved access to historical data and information to assist in hazard and risk assessment. High-throughput in vitro and in silico analyses increasingly are being brought to bear to rapidly screen chemicals for their potential impacts and interweaving this information with more traditional in vivo toxicity data and exposure estimation to provide integrated insight into chemical risk is a burgeoning frontier on the cusp of cheminformatics and environmental sciences.
This symposium will bring together a series of talks to provide an overview of the present state of data, tools, databases and approaches available to environmental chemists. The session will include the various modeling approaches and platforms, will examine the issues of data quality and curation, and intends to provide the attendees with details regarding availability, utility and applications of these systems. We will focus especially on the availability of Open systems, data and code to ensure no limitations to access and reuse.
The topics that would be covered in this session are, but are not limited to:
Please submit your abstracts using the ACS Meeting Abstracts Programming System (MAPS) at https://maps.acs.org. General information about the conference can be found at www.acs.org/meetings. Any other inquiries should be directed to the symposium organizers:
Antony J. Williams and Chris Grulke, National Center for Computational Toxicology, Environmental Protection Agency, Research Triangle Park, Durham, NC