CINF/CSA Trust Symposium, Beyond Small Molecules: Pushing the Envelope for Chemical Structure Representation

CINF Symposia #243: Call for Papers

CINF/CSA Trust Symposium, Beyond Small Molecules: Pushing the Envelope for Chemical Structure Representation

Organized by: Keith Taylor

Submission deadline: Oct. 20, 2011

If you cannot complete an abstract before that date, but intend to submit a paper, please contact me directly (keith.taylor@accelrys.com).

The symposium is on challenges in chemical structure representation. The symposium will focus on the representation and searching of substances whose chemical structures contain variability, or whose sizes poses challenges to conventional connection table or string notations. A discussion of why the chemical structure information enhances the value of the substance, and what benefits derive from this additional information would enhance the presentation significantly.

Examples include, but are not limited to:

  • Natural products, and synthetic materials that are mixtures
  • The general issue of structure representation during structure determination, in for example metabolite identification
  • Polymers
  • Organometallics and transition metal complexes
  • Sequences both natural, synthetic, and semi-synthetic, including antibody-drug conjugates
  • Chemical structures in patents

Presentations will be 25-30 minutes, including time for questions. The ACS site is open for abstract submissions. Go to the MEETINGS tab on the ACS home page and click on "Upcoming National Meeting." Abstracts may be submitted directly via: http://abstracts.acs.org. The deadline for submitting an abstract for consideration is October 20, 2011.

Please contact the organizer, Keith T Taylor (keith.taylor@accelrys.com), if you have any questions or to discuss a paper.

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