Technical Program Listings

CINF Symposia

ACS Chemical Information Division (CINF)
Fall, 2011 ACS National Meeting
Denver, CO (August 28 - September 1)

Other Symposia of Interest:

  • 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

 

 

7
Magazine cms