The Computers in Chemistry Division
Spring 1999 Executive Committee Minutes

Anaheim, California
March 21, 1999


C. Breneman (Treasurer), F. Brown (Past Chair), D. Boyd (JMGM Liaison), G. Famini (Chair), M. Francl (Councilor), Peter Gund (Councilor), Tamara Gund (Past Councilor), Steve Heller (Symposium Chair), A. Holder (Secretary), S. Huston (Newsletter Editor), P. Jurs (Councilor), D. Ortwine (Symposium Chair), W. Rieher (Former Treasurer), D. Ryan (Program Chair), D. Spellmyer (Symposium Chair), R. Wheeler (Program Vice Chair).

(Attachments: Yearly Secretary's Report, Election results)


The Division was notified by GF that we were represented at the Divisional Officers Caucus.

Secretary's Report

Annual Report - (attachment) "Summary of Div. Activities." Annual allocation from ACS will only occur after Treasurer's and Secretary's reports are received. Due March 15.

COMP Division Membership is up 6% this year, ACS up 10-15%.

Treasurer's Report / Financial Items

Formal report is not ready, but is underway by WR. Summary: We are in excellent financial shape. It has been a slow year for collections outside of the ACS allocation. There has been no income from symposia and little from general contributions. We did collected sponsorships from IBM ($5K for a 1997 symposium) and MSI ($2K, fall poster session in 1998). We do have sponsors for 3 of the symposia in Anaheim. The majority of the Division's money is in interest bearing checking accounts and some is in the ACS investment pool. Some money is also invested in a liquid money market account. Other monies are in CDs on a 3 month rotation cycle. The checking account has about $33,000 and there are about $100,000 in total assets. We ran a slight overage this year and expect the same next year due to increased income from symposia book sales.

It was noted that symposia chairs should consider that part of the ACS book income goes directly to the Division. When symposium proceedings are published through other sources (such as JMGM), there is no direct income for the Division, except that Elsevier (the publisher of JMGM) is willing to help support COMP symposia.

We owe 1998 and 1999 DOC dues. Curt will pay.

Motion: AJH and KB will be signatories on all Divisional accounts. (Passed unanimously.)

Symposia chairs have had an option in the past about running their support money through the Division or handling it personally. The Executive Committee feels that all such funds should go through the Division. KB and DR will establish a procedure and report on this at the meeting in New Orleans.

Councilor's Report

P. Jurs is on Publications Committee. ACS is producing new journal titles ("Modern Drug Discovery", "Combinatorial Chemistry", "Organic Letters") and are looking for other new products. It was noted that there is still no ACS journal specific to the needs of the Division. (JCICS doesn't do it for many areas.) Electronic publishing and refereeing are under rapid development and "Organic Letters" will be a test bed.

Peter Gund is on the Science Advisory Committee, which provides guidance on science's impact on society and sponsors big symposia and other special events.
MF (newly elected councilor) was encouraged to try to get on the Divisional Activity Committee, although this is a desirable appointment and "strings" will have to be pulled.

There is discussion about changing the structure of the Council from 20% divisional representation upward (at the expense of local sections) to reflect increasing divisional importance in ACS activities.

Discussion also occurred noting that there was no mechanism for obtaining special program monies for such items as starting awards, special web pages, etc.

Newsletter Editor

GF issued an open call for help with a Divisional newsletter, and SH agreed to be editor. The Newsletter will be included in abstract separates and other places as well as being mailed to membership as needed. (The current version didn't make it into the Anaheim separates.) Items are required from the Chair, Program Chair, and Secretary (minute highlights). Contributions are due to SH in time to be included in Abstract separates.

Suggested items for the newsletter include: 1) Information on electronic submission of abstracts; 2) JMGM stuff; 3) Symposium book discounts and availability; 4) Contributors to Divisional activities; 5) Student travel awards (recipients and announcement of program.)


It was noted that better availability and less expense surrounding use of computer AV is important for the future.

The final technical program for New Orleans (attached) was developed in an immediately prededing meeting and is here presented by D. Ryan.

There was an expressed desire for greater breadth in programming. It was suggested that a survey of the membership be conducted to find new and/or different areas to organize symposia to support.

There was a suggestion for a standing Program Committee rather than the ad hoc group that currently handles this. (GF will organize). D. Ryan suggested that programming guidelines be developed. This will be firmed up at NO meeting. GF will contact the Chairs of other division for emerging COMP issues in their areas.

Electronic submission is here. Encourage use at all levels.

21st Century in SF

There will be a special celebration at the San Francisco ACS meeting including community outreach, media attention, special symposia, and divisional programming. The emphasis will be on what our specific discipline and all of chemistry will be like in the 21st century. The intention is for us to be forward-looking and visionary. Dave Dixon is already scheduled to do a "big problems" symposium that will fit this type of effort.


Don Boyd (the new editor appointed by the Division) recounted his understanding that for several years the Executive Committee had tried without success to interest the ACS Publications Department in a journal dedicated to the division, and finally last year the Executive Committee entered an arrangement with Elsevier Science to associate with the Journal of Molecular Graphics and Modelling. FB noted there is precedent for an ACS division to associate with a commercial publisher. DB reported that JMGM was almost moribund last year when he came on board and needs papers. He has acted to revive the journal and expanded the editorial board to 42 members, including about half from COMP. (The rest were appointed by Rod Hubbard to represent the Molecular Graphics and Modelling Society.) To help revive JMGM, each board member agreed to submit 1 paper per year, and DB is counting on the first wave of these to be submitted by this summer. So far in 1999, paper flow has increased, but more is needed. Elsevier Science is looking for a new editor of the Chemical Design Automation News section of the journal. Elsevier Science mailed flyers to 2000 computational chemists in order to advertise the new editorship and board.

Members get a discount on subscriptions. (A previous billing problem has been cleared up. Contact Jon Glover if there is still difficulty.)

Discussion ensued on directing symposia proceedings to books or appropriate journals (JCICS vs JMGM). MF suggested we provide some guidance as to destination to organizers.

JMGM will publish announcements and other assorted items on behalf of the Division.

Corporate Associates

This area of ACS effort is being emphasized. There will be a hospitality suite in Lido A in the Hilton allowing us to garner cooperation between industry and the Division for programming.

By Laws Changes

It was noted that the Program Chair should be a voting member of the Executive Committee. Also, our previous By Laws change was not logged somehow. MF will send the ACS-approved item to GF for resubmission. Should JMGM be a voting member? Discussion ensued.


Membership 2001 Campaign. We can participate and there is $1500 prize money for new initiatives in Member Development Activities. Our current Membership Committee is basically nonfunctional. GF proposed adding more people to the committee and that they be encouraged to do advertising (a flyer) and make some organized efforts at recruiting. Report in New Orleans.

Procedures Manual

ACS suggests that the Division develop a "Procedures Manual" for the tasks that we do. GF has a format and Andy Ruscinko will be putting this together. He will need information from all officers.

Webpage Migration to ACS server

Needs to be up! We have a new logo that needs to be included. There is an ACS sponsored web site that we have access to and the site should be referenced and loaded there. Rebecca Rome has expressed interest in developing/maintaining the site. GF and DR will work on getting this finalized. The old address will be pointed to the new site.



We need to fill a councilor, and there have already been two names submitted. We have one candidate (David Spellmyer) for Chair-Elect. Ballot should go out to membership by the end of May.


Results of the 1998 Election are as follows:


J. Phillip Bowen (84)
David Spellmeyer (65)


Michelle Francl (94)
Andrew Rusinko (54)


Andrew Holder (137)


Curt Breneman (93)
Bill White (54)

Strategic Plan

GF feels we need to work to define where the Division should be in 5 years. The Division must have some goals. Chuck Reynolds will help over the next two years to develop a strategic plan for the committee to examine.

Student Travel Awards

The Division needs firm guidelines for awarding meeting travel grants. Questions to be addressed in such a policy include number of awards, amount of awards, and documentation requirements. P. Jurs noted that such items existed in the past. He will locate his copies and send the info to GF. DR granted 10 awards at $500 each for the Anaheim meeting. It was moved (and passed unanimously) that $3,000 be allocated for this purpose for each national meeting beginning with New Orleans.

Division Service Award

This was discussed briefly, but no conclusion was reached.

Adjourned at 5:02PM

Respectfully submitted,
Andrew J. Holder, Secretary

Revised 6/17/99

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