ACS Spring 2012 National Meeting in San Diego March 25 – March 29

Dr. Barry Bunin will present at the ACS Spring 2012 National Meeting & Exposition:

PAPER ID: 20696
PAPER TITLE: “Open source QSAR models with IP-sensitive SAR data: POCs in secure online environments for collaborative drug discovery showing CDK with SMARTS keys are statistically equivalent (κ = .43)…and open call for all industry and academic projects”

DIVISION: COMP: Division of Computers in Chemistry
SESSION: Collaborative Drug Discovery for Neglected Diseases
DAY & TIME OF PRESENTATION: March 25, 2012 from 2:50 pm to 3:30 pm
LOCATION: San Diego Convention Center, Room 26A

Dr. Sean Ekins (CDD Scientific Collaborations Director) will provide 5 provocative presentations at the ACS, the last one is related to our STTR TB grant combining bioinformatics and cheminformatics approaches to identify novel compounds against novel targets:

PAPER ID: 22901
PAPER TITLE: “Mobile apps for drug discovery”
DIVISION: CINF: Division of Chemical Information
SESSION: Mobile Space and E-Books
PRESENTATION FORMAT: Oral

PAPER ID: 23156
PAPER TITLE: “Finding promiscuous old drugs for new uses”

DIVISION: CINF: Division of Chemical Information
SESSION: Drug Polypharmacology Prediction and Design
PRESENTATION FORMAT: Oral
PAPER ID: 22893
PAPER TITLE: “Toward a gold standard: Improving the quality of public
domain chemistry databases”

DIVISION: CINF: Division of Chemical Information
SESSION: General Papers
PRESENTATION FORMAT: Oral

PAPER ID: 22839
PAPER TITLE: “Collaborative computational technologies for biomedical
research: An enabler of more open drug discovery”
DIVISION: CINF: Division of Chemical Information
SESSION: Beyond the Database: New Models of Scholarship in an eScience World
PRESENTATION FORMAT: Oral

PAPER ID: 22863
PAPER TITLE: “Combining cheminformatics methods and pathway analysis
to identify molecules with whole-cell activity against mycobacterium
tuberculosis”
DIVISION: COMP: Division of Computers in Chemistry
SESSION: Drug Discovery
PRESENTATION FORMAT: Oral

See you in San Diego, California, USA
March 25 – March 29, 2012


This blog is authored by members of the CDD Vault community. CDD Vault is a hosted drug discovery informatics platform that securely manages both private and external biological and chemical data. It provides core functionality including chemical registration, structure activity relationship, chemical inventory, and electronic lab notebook capabilities!

CDD Vault: Drug Discovery Informatics your whole project team will embrace!