Grace Patlewicz and I have the pleasure of hosting a symposium at the Spring 2018 ACS National Meeting in New Orleans as outlined below. We believe that a presentation from you would enhance the line-up for the gathering and encourage you to consider our invitation. Our expectations are that we will have a full day of stimulating presentations and discussions regarding the application of cheminformatics to Environmental Chemistry. We sincerely hope you will consider our invitation and submit an abstract to the CINF division listed at https://callforpapers.acs.org/nola2018/CINF. Please confirm your intention to participate via email. Thank you in advance.
Applications of Cheminformatics to Environmental Chemistry
Cheminformatics and computational chemistry have had an enormous impact in regards to providing environmental chemists access to data, information and software tools and algorithms. There is an increasing number of online resources and software tools and the ability to source data, perform real time QSAR prediction and even read-across analyses online is now available. Environmental scientists generally seek chemical data in the form of chemical properties, environmental fate and transport or toxicity-based endpoints. They also search for data regarding chemical function and use, information regarding their exposure potential, and their transformation in environmental and biological systems. 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 http://www.acs.org/meetings. Any other inquiries should be directed to the symposium organizers:
Antony J. Williams and Grace Patlewicz, National Center for Computational Toxicology, Environmental Protection Agency, Research Triangle Park, Durham, NC