I am just back from the 2013 American Chemical Society in New Orleans at which I co-chaired 2 sessions in CINF. Lots of gumbo and jambalya were consumed.
A very busy meeting, so much so that I barely left the rooms in which I was either talking or helping to chair. Lots of interesting discussions of meals about everything ranging from the lack of NIH support for academic cheminformatics groups, to repurposing, mobile apps and beyond. Probably the talks that had the most audince response were the PAPER ID: 13433 on acoustic vs tip dispensing, with lots of suggestions from the audience and interest in doing bigger studies. PAPER ID: 13382 on finding the structures for the repurposing molecules from NCATS and MRC also resulted in discussions around why reviews were not allowing us to include predictions for compounds because of potential to muddy the waters for patenting for those uses..perhaps a future blog here.
Below are the links to the collaborative projects I presented covering a range of subjects as either powerpoints or pdfs.
PAPER ID: 14750 PAPER TITLE: “Enhancing High Throughput Screening For Mycobacterium tuberculosis Drug Discovery Using Bayesian Models” DIVISION: COMP: Division of Computers in Chemistry SESSION: Drug Discovery PRESENTATION FORMAT: Oral
PAPER ID: 13358 PAPER TITLE: “TB Mobile: Appifying Data on Anti-tuberculosis Molecule Targets” DIVISION: COMP: Division of Computers in Chemistry SESSION: Mobile Applications PRESENTATION FORMAT: Oral
PAPER ID: 13382 PAPER TITLE: “Challenges and recommendations for obtaining chemical structures of industry-provided repurposing candidates” DIVISION: CINF: Division of Chemical Information SESSION: Public Databases Serving the Chemistry Community PRESENTATION FORMAT: Oral
PAPER ID: 21524 PAPER TITLE: “Navigating between patents, papers, abstracts and databases using public sources and tools” DIVISION: CINF: Division of Chemical Information SESSION: Public Databases Serving the Chemistry Community PRESENTATION FORMAT: Oral
PAPER ID: 13438 PAPER TITLE: “Dual-event machine learning models to accelerate drug discovery” DIVISION: CINF: Division of Chemical Information SESSION: Advances in Virtual High-Throughput Screening PRESENTATION FORMAT: Oral
PAPER ID: 13433 PAPER TITLE: “Dispensing processes profoundly impact biological assays and computational and statistical analyses” DIVISION: CINF: Division of Chemical Information SESSION: Advances in Visualizing and Analyzing Biomolecular Screening Data PRESENTATION FORMAT: Oral
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