CINF Technical Program Highlights


I would like to thank all of the organizers, speakers, and poster presenters who contributed to the New Orleans Meeting. I heard many compliments throughout the week and hope those that attended were as equally impressed with the session line-ups as I was. I would also like to thank the many CINF sponsors whose contributions enhance our Division programming. I hope you will take the opportunity to read the various symposium reports in this issue that have been submitted by some of our New Orleans organizers.

Two of our sessions were recorded as part of the ACS Presentations on Demand program and will be made available to registered attendees soon ( The sessions were:

  • Linking Bioinformatic Data and Cheminformatic Data Scholarly
  • Communication: New Models, New Media, New Metrics

Looking forward to Indianapolis

As I am finishing the scheduling of symposia for the Meeting in Indianapolis this fall, we have another wide-ranging program of over 100 presentations in addition to 18 posters designated for Sci-Mix. A major highlight will be the Herman Skolnik Award Symposium in honor of Dr. Richard “Dick” Cramer on Tuesday, September 10, 2013. The symposium will proceed as follows:

Morning session R. CramerOrganizer, B. MasekPresiding

8:30 Introductory Remarks
8:35 Adventures in CoMFAland. R. D. Clark
9:05  Adventures in drug discovery: For now we see through a glass, darkly. R. C. Glen
9:35 Three paradigm shifts in computer-assisted drug design: The inventors and by-standers. Y. C. Martin
10:05  Intermission
10:20 Look back at 3D-QSAR and Dick Cramer. A. J. Hopfinger
10:50 Evolution of QSAR from regression analysis to physical modeling. A. N. Jain
11:20 Scientific analysis of baseball performance. D. W. Smith

Afternoon session R. Cramer, Organizer, T. Stouch, Presiding

2:00 Introductory Remarks
2:05 Synthesis planning: Something about reactions, representation, relationships, and reasoning. W.T. Wipke
2:35 Think local, act global: Some challenges in cheminformatics and drug research. T. I. Oprea
3:05 Intermission
3:20 From library design to off-target prediction: A wide array of topomer applications. B. Wendt
3:50 Whole template CoMFA: The QSAR grail? R. D. Cramer
4:35 Award Presentation.


Proposed CINF Program for the Fall 2013 ACS National Meeting

Back to the Future: Print Resources in a Digital World Grace Baysinger
Before and After Lab: Instructing Students in 'Non-chemical' Research Skills Andrea Twiss-Brooks
Charles Huber
Chemistry on Tablet Computers David Martinsen
Martin Braendle
CINF Scholarship for Scientific Excellence Guenter Grethe
Computational Profiling and Repositioning as Promising New Ways of Drug Development Andrew Hopkins
Violeta Isabel Perez Nueno
Current Challenges in Cheminformatics: Exploiting Information and Knowledge in Structured and Unstructured Environments Neil Kirby
Dirk Tomandl
Exchangeable Molecular and Analytical Data Formats and Their Importance in Facilitating Data Exchange Antony Williams
Robert Lancashire
General Papers Jeremy Garritano
Graduate Student Research Symposium in Cheminformatics, Information Science, and Library Science Gary Wiggins
Herman Skolnik Award Symposium Richard Cramer

Integrative Chemogenomics Knowledge Mining Using NIH Open Access Resources

Rajarshi Guha
Tudor Oprea
Paul Clemons
Joint CINF-CSA Trust Symposium: Semantic Technologies in Translational Medicine and Drug Discovery David Wild
Jan Kuras
Role and Value of Social Networking in Advancing the Chemical Sciences Antony John Williams
Jennifer Maclachlan
Sci-Mix Jeremy Garritano
Science-Based Policy Development in the Environment, Food, Health, and Transport Sectors William Town

I look forward to seeing many of you in Indianapolis. Registration and housing for the Fall Meeting will open on May 29, 2013.

Future Plans

The Spring 2014 Meeting will be held in Dallas, TX, March 16-20. The theme of the Dallas meeting will be Chemistry and Materials for Energy. I will be handing over the reins to Erin Bolstad of ChemAxon, CINF Program Chair for 2014, and will be assisting her in the transition. Abstract submission will most likely occur in September-November, 2013. In the coming months, we will be soliciting potential symposia organizers and session topics. If you are interested in organizing a symposium for the Dallas meeting, please feel free to contact me at

Jeremy Garritano, Chair, CINF Program Committee