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
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