CINF Symposia

• Strengthening Your Patent Rights in Light of Recent Federal Circuit Court Decisions (see CHAL, Sun)
• Cheminformatics Aspects of High Throughput Screening: From Robots to Models (see COMP, Sun, Mon)
• Emerging Technologies in Computational Chemistry (see COMP, Sun)
• Mining Protein-Ligand Interaction Space (see COMP, Mon, Tue)
• Predicting and Disrupting Protein Interactions (see COMP, Wed, Thu)

Social Events:

• Reception, 6:30 PM: Sun, Tue
• Reception, 5:30 PM: Mon
• Luncheon, 12 PM: Tue

CINF Symposia

R. Bienstock, Program Chair

SUNDAY MORNING

Section A
Colorado Convention Center
room 110

Chemical Environmental Specific Databases and Searching Information Related to the Air, Water, and our Environment
A. Twiss-Brooks, Organizer, Presiding
9:00		Introductory Remarks.
9:05	1	Can a compact means of representing the ionic equilibria of multi-acid/base aqueous solute molecules be devised? R. Don Wauchope Abstract
9:35	2	USGS National Geochemical Database: Recovering, repackaging, and repurposing 50+ years of historical data Steven M Smith, David B Smith. Abstract
10:05	3	Quality of water resources from the U.S. Geological Syrvey: An introduction Shu Guo Abstract
10:35		Intermission.
10:50	4	Public access to toxic release data: Exploring TRI and RTKnet.org Barbara Losoff Abstract
11:20	5	CHEMLIST: Chronicling the course of regulated chemistry Roger J Schenck Abstract

Computational Approaches to Spectroscopy Analysis Battle of the Pocket Protectors!, Sponsored by COMP, Cosponsored by ANYL, CINF, and PHYS

Empowering Tomorrow's Science Super Heroes Sponsored by PRES, Cosponsored by ANYL, BMGT, CHED, CINF, COMSCI, FUEL, GEOC, HIST, I&EC, INOR, MEDI, PHYS, PROF, and YCC

SUNDAY AFTERNOON

Section A
Colorado Convention Center
room 110

Non-Traditional Careers What Else Can I Do With a Chemistry Degree?
P. Meindl, Organizer, Presiding
1:30		Introductory Remarks.
1:40	6	Aligning scientific expertise and passion through a career path in the chemical sciences Antony John Williams Abstract
2:00		Intermission.
2:15		Videos.
2:45		Panel Discussion.

Cheminformatics Aspects of High Throughput Screening: From Robots to Models Round Table Discussion. Ding! Ding! Sponsored by COMP, Cosponsored by CINF and MEDI

Science on the Hollywood Screen Sponsored by PRES, Cosponsored by ANYL, BMGT, CHED, CINF, COMSCI, FUEL, GEOC, HIST, I&EC, INOR, MEDI, PHYS, PROF, and YCC

SUNDAY EVENING

Section A

CINF Scholarship for Scientific Excellence
G. Grethe, Organizer
6:30 - 8:30
	7	Development of an open source ELN Felix Rudolphi Abstract
	8	Introduction of InChI to researchers in the Department of Chemistry at Louisiana State University Karen L. Salazar, William W. Armstrong Abstract
	9	Stochastic search for the structures of small germanium clusters and their anions: Enhanced stability by spherical aromaticity of the Ge10 and Ge122-systems Truong Ba Tai Abstract
	10	SMARTNames: A new framework to organize chemical structural information based on chemically relevant functional groups Barun Bhhatarai Abstract
	11	Molecular docking and 3D-QSAR studies for design and development of selective aspartate semialdehyde dehydrogenase inhibitors Amarjit Luniwal, Alexander Pavlovsky, Paul W. Erhardt, Ronald Viola Abstract

MONDAY MORNING

Section A
Colorado Convention Center
room 110

Chemistry in Mobile Spaces Chemical Apps for Mobile Devices
D. Martinsen, M. Braendle, Organizers, Presiding
9:00		Introductory Remarks.
9:05	12	Chemistry in the hand: The delivery of structure databases and spectroscopy gaming on mobile devices Antony J Williams, Sergey Shevelev, Andrew S.I.D Lang, Jean-Claude Bradley, Kevin Theisen Abstract
9:35	13	SciFinder mobile: Innovation for today's chemical researchers Kurt W Zielenbach, Jeffrey M Wilson; Joseph F Sjostrom Abstract
10:05	14	Useful and fun chemistry on the go David A. Evans, Pieder Caduff Abstract
10:35		Break.
10:45	15	Nature of publishing anytime, anyplace, anywhere Jason Wilde Abstract
11:15	16	Current and emerging mobile technologies at ACS publications Dan O'Brien, Yinghao Ma Abstract

Bioinformatics Sponsored by COMP, Cosponsored by BIOL, CINF, and MEDI

Cheminformatics Aspects of High Throughput Screening: From Robots to Models Sponsored by COMP, Cosponsored by CINF and MEDI

MONDAY AFTERNOON

Section A
Colorado Convention Center
room 110

Chemistry in Mobile Spaces
D. Martinsen, M. Braendle, Organizers, Presiding
1:30		Introductory Remarks.
1:35	17	Post-textbook era: What it means for the chemistry classroom Theodore Gray Abstract
2:05	18	Riding the mobile wave Steven M Muskal Abstract
2:35	19	ChemWriter: Enabling cross-platform mobile chemistry applications through Web standards Richard L. Apodaca Abstract
3:05	20	Computer Vision based chemical information extraction from digital images and streaming videos Muthukumarasamy Karthikeyan Abstract
3:35		Break.
4:25		CINF Open Meeting and the Open Meeting of the Joint Board-Council Committees on ACS Publications and CAS.

TUESDAY MORNING

Section A
Colorado Convention Center
room 110

Herman Skolnik Award Symposium Information Services in Chemical Sciences: Perspectives
A. Lawson, Organizer, Presiding
8:30		Introductory Remarks.
8:35	21	The Information Century and the Learned Society Robert J. Massie Abstract
9:15	22	Beyond the journal: Innovation in 21st century publishing Martin Tanke Abstract
9:55		Intermission.
10:10	23	ChemSpider: Does community engagement work to build a quality online resource for chemists? Antony J Williams, Valery Tkachenko Abstract
10:50	24	Riding the wave: TIB`s strategy in the context of non-textual materials Uwe Rosemann, Irina Sens Abstract

Challenges in Industrial Computational Methods Sponsored by COMP, Cosponsored by CINF

TUESDAY AFTERNOON

Section A
Colorado Convention Center
room 110

Herman Skolnik Award Symposium Information Services in Chemical Sciences: Perspectives
A. Lawson, Organizer, Presiding
1:30		Introductory Remarks.
1:35	25	Discovering drugs: Generating pharmacologically relevant leads that target disease Robert C Glen Abstract
2:15	26	From data to knowledge capture and retrieval in Medicinal Chemistry - if we only knew what we already know Torsten Hoffmann Abstract
2:55		Intermission.
3:10	27	Enriched research documents at the cutting edge: When research papers no longer make sense on paper Rudy Potenzone Abstract
3:50	28	Reading the e-leaves Wendy A Warr Abstract
4:20	29	Challenges and opportunities in preserving the scientific record: Reaxys and beyond Alexander J Lawson Abstract
4:50		Concluding Remarks.

Challenges in Industrial Computational Methods Sponsored by COMP, Cosponsored by CINF

Material Science Look Out POLY. You're Officially on Notice. Sponsored by COMP, Cosponsored by CINF and PMSE

WEDNESDAY MORNING

Section A
Colorado Convention Center
room 110

General Papers
R. Bienstock, Organizer, Presiding
8:30		Introductory Remarks.
8:35	30	MarVis: An intuitive patent Markush structure visualization tool for medicinal chemists Wei Deng Abstract
8:55	31	Modeling activity landscapes using multiple representations: Consensus models Jose L Medina-Franco,Austin B Yongye, Kendall Byler, Radleigh Santos, Karina Martinez-Mayorga, Gerald M Maggiora Abstract
9:15	32	Unique cycle families: A set of unique and chemically meaningful rings Adrian Kolodzik, Sascha Urbaczek, Matthias Rarey Abstract
9:35	33	Improved conformational search using a cooperative swarm of simulation replicas Neil J Bruce, Richard A Bryce Abstract
9:55	34	System chemical biology studies of endocrine disruptors Tudor I. Oprea, Olivier Taboureau Abstract
10:15		Break.
10:25	35	Large-scale data analysis of bioactivity information in PubChem using 2D and 3D chemical similarity Evan Bolton Abstract
10:45	36	Structure representations in public chemistry databases: The challenges of validating the chemical structures for 200 top-selling drugs Antony J Williams, David Sharpe, Alex Tropsha, Eugene Muratov, Denis Fourches, Jordi Mestres, Ricard Garcia-Serna, Andrey Yerin, Chris Southan Abstract
11:05	37	Merging small molecule compound libraries of Bayer HealthCare AG and Schering AG Jens F Schamberger, Michael Grimm, Alexander Hillisch, Andreas Steinmeyer Abstract
11:25	38	Functional classification of drugs based on their multiphenotype interaction network Adam C Palmer, Fred M Harbinski, Florian Nigsch, Christopher J Wilson, Jeremy L Jenkins, Roy Kishony, Joseph Lehár Abstract
11:45	39	Flavor landscape: Towards a systematic characterization of a comprehensive flavor database Karina Martinez-Mayorga, Terry L. Peppard, Austin B. Yongye, Gerald M. Maggiora, Jose L. Medina-Franco Abstract

Challenges in Industrial Computational Methods Sponsored by COMP, Cosponsored by CINF

WEDNESDAY AFTERNOON

Section A
Colorado Convention Center
room 110

General Papers
R. Bienstock, Organizer, Presiding
1:30		Introductory Remarks.
1:35	40	RInChIs and reactions Jonathan M Goodman Abstract
1:55	41	CAS learning solutions: Responding to customer needs worldwide Jayne Knoop Abstract
2:15	42	NIST-journals cooperation: Implementation of new tools for editors, reviewers and authors Joseph W. Magee Abstract
2:35		Break.
2:45	43	What has your chemistry librarian been doing? A new science librarian's work report and current trends in chemistry/science librarianship Shu Guo Abstract
3:05	44	Development and assessment of online SciFinder tutorials toward the promotion of scientific literacy in undergraduates Danielle L Jacobs, Patricia H Dawson, Sharon Q Yang Abstract
3:25	45	Check us out: Librarians as departmental PR agents Donna Wrublewski, Michelle Leonard Abstract
3:45	46	Elements of research misconduct Michelle Leonard, Donna Wrublewski Abstract

Section B
Colorado Convention Center
room 112

CINFlash
R. Guha, Organizer, Presiding
1:30		Discussion.

Challenges in Industrial Computational Methods Sponsored by COMP, Cosponsored by CINF

Material Science Nanoscopic Investigation. Did You Just Makeup A Word? No, Investigation Is A "Real" Word. Sponsored by COMP, Cosponsored by CINF and PMSE

THURSDAY AFTERNOON

Material Science Everyone Studies Materials But We Do It Better. And We Develop the Methodologies. Sponsored by COMP, Cosponsored by CINF and PMSE