CCL: ACS Meeting Report

["Wendy Anne Warr" <wendy:_:warr.com>]

 Sent to CCL by: "Wendy Anne Warr" [wendy/a\warr.com]
 CHEMICAL INFORMATION AND COMPUTATION 2012 NUMBER ONE. 243rd ACS NATIONAL MEETING
 AND EXPOSITION, SAN DIEGO, CA, MARCH 25-29, 2012
 Our 39th ACS report is going to press. Contents list and order forms at http://www.warr.com.
 This report has transcripts of 30 papers with colour graphics:
  drug polypharmacology prediction and designi
 	o drug repurposing
 	o polypharmacology models for large datasets
 	o QSARome of GPCRs
  beyond small molecules; pushing the envelope for chemical structure
 representation
 	o PubChem advances
 	o proteins, nucleic acids
 	o Markush structure search
 	o non-specific structures, etc.
  recent advances in reaction searching
 	o reaction databases and novel tools
 	o multi-step, branched, convergent or linear reactions and associated data
 	o ELNs and in-house databases
 	o searching for compounds not yet existing
 	o automated extraction of reactions from the patent literature
 	o retrosynthesis and stereoselectivity
  InChI symposium
 plus six months' worth of news from 70 companies.
 Wendy
 Dr. Wendy A. Warr
 Wendy Warr & Associates
 6 Berwick Court, Holmes Chapel
 Cheshire, CW4 7HZ, England
 Tel./Fax +44 (0)1477 533837
 wendy-x-warr.com http://www.warr.com