2007
- Chair: Prof. Ralph Wheeler, University of Oklahoma
- Chair-Elect: Dr. Wendy Cornell, Merck & Co., Inc
- Secretary: Dr. Hanneke Jansen, Novartis Institutes for Biomedical Research
- Treasurer: Prof. Curt Breneman, Rensselaer Polytechnic University
2006
- Chair: Prof. Jeffrey D. Evanseck, Duquesne University
- Chair-Elect: Prof. Ralph Wheeler, University of Oklahoma
- Secretary: Dr. Hanneke Jansen, Novartis
- Treasurer: Prof. Curt Breneman, Rensselaer Polytechnic University
2005
- Chair: Prof. Andrew Holder, University of Missouri-Kansas City
- Chair-Elect: Prof. Jeffrey D. Evanseck, Duquesne University
- Treasurer: Prof. Curt Breneman, Rensselaer Polytechnic University
- Secretary (2005-2007): Dr. Hanneke Jansen, Chiron Corporation
2004
- Chair: Prof. Michelle Francl, Bryn Mawr College
- Chair-Elect: Prof. Andrew Holder, University of Missouri-Kansas City
- Treasurer: Prof. Curt Breneman, Rensselaer Polytechnic University
- Secretary (2002-2004): Prof. Jeffrey D. Evanseck, Duquesne University
2003
- Chair: Peter D. J. Grootenhuis, PhD, Vertex Pharmaceuticals Incorporated
- Chair-elect: Prof. Michelle Francl, Bryn Mawr College
- Immediate Past Chair: Prof. Bill Jorgensen, Yale University
- Treasurer: Prof. Curt Breneman, Rensselaer Polytechnic University
- Secretary: Prof. Jeffrey D. Evanseck, Duquesne University
2002
- Chair: Prof. Bill Jorgensen, Yale University
- Chair-Elect: Dr. Peter D.J. Grootenhuis, Deltagen Research Laboratories
- Past-Chair: Dr. David Spellmeyer, DuPont Pharmaceuticals
- Treasurer: Prof. Curt Breneman, Rensselaer Polytechnic University
- Secretary: Prof. Andrew Holder, University of Missouri- Kansas City
- Newsletter Editor and Public Relations: Dr. Shawn Kenner, Spotfire, Inc.
- Councilor: Dr. Peter Gund, Pharmacopeia Inc.
- Councilor: Dr. Peter C. Jurs, Pennsylvania State University
- Councilor: Dr. Michelle Francl, Bryn Mawr College
- Alternate Councilor: Dr. Alex Tropsha, UNC-Chapel Hill
- Alternate Councilor: Dr. Tamara Gund, New Jersey Institute of Technology
- Alternate Councilor: Hanneke Jansen, Chiron Corporation
- Program Chair: Dr. Ralph Wheeler, University of Oklahoma
- Vice Program Chair: Dr. Wendy Cornell, Novartis Pharmaceuticals
- JMGM Liaison: Prof. Andrew Holder, University of Missouri- Kansas City
- Web Maven: Lisa M. Balbes, Ph.D., Balbes Consultants
2001
- Chair: Dr. David Spellmeyer, DuPont Pharmaceuticals
- Chair-Elect: Prof. Bill Jorgensen, Yale University
- Past-Chair: Prof. J. Phillip Bowen, CCMSD, University of Georgia
- Treasurer: Prof. Curt Breneman, Rensselaer Polytechnic University
- Secretary: Prof. Andrew Holder, University of Missouri- Kansas City
- Newsletter Editor and Public Relations: Dr. Shawn Kenner, Spotfire, Inc.
- Councilor: Dr. Peter Gund, Pharmacopeia Inc.
- Councilor: Dr. Peter C. Jurs, Pennsylvania State University
- Councilor: Dr. Michelle Francl, Bryn Mawr College
- Alternate Councilor: Dr. Alex Tropsha, UNC-Chapel Hill
- Alternate Councilor: Dr. Tamara Gund, New Jersey Institute of Technology
- Alternate Councilor: Dr. Andrew Rusinko III, Alcon Laboratories, Inc.
- Program Chair: Dr. Ralph Wheeler, University of Oklahoma
- Vice Program Chair: Dr. Wendy Cornell, Novartis Pharmaceuticals
- JMGM Liaison:
- Web Maven: Lisa M. Balbes, Ph.D., Balbes Consultants
2000
- Chair: Prof. J. Phillip Bowen, CCMSD, University of Georgia
- Chair Elect: Dr. David Spellmeyer, DuPont Pharmaceuticals
- Past-Chair: Dr. George Famini, U.S. Army Edgewood R and D Center
- Treasurer: Prof. Curt Breneman, Rensselaer Polytechnic University
- Secretary: Prof. Andrew Holder, University of Missouri- Kansas City
- Newsletter Editor: Dr. Shawn Kenner, Spotfire, Inc.
- Councilor: Dr. Peter Gund, Pharmacopeia Inc.
- Councilor: Dr. Peter C. Jurs, Pennsylvania State University
- Councilor: Dr. Michelle Francl, Bryn Mawr College
- Alternate Councilor: Hugh B. Woodruff, Merck & Co. Inc.
- Alternate Councilor: Dr. Tamara Gund, New Jersey Institute of Technology
- Alternate Councilor: Dr. Andrew Rusinko III Alcon Laboratories, Inc.
- Program Chair: Dr. Ralph Wheeler, University of Oklahoma
- JMGM Liaison: Prof. Donald B. Boyd, Indiana University-Purdue University
- Web Maven: Lisa M. Balbes, Balbes Consultants
1999
- Chair: Dr. George Famini
- Chair-Elect: Dr. J. Phillip Bowen
- Secretary: Dr. Andrew J. Holder
- Treasurer: Dr.Curtis M. Breneman
- Program: Dr. M. Dominic Ryan
- Program Vice-Chair: Dr. Ralph Wheeler
- Membership: Dr. Charles H. Reynolds
- Newsletter Editor: Dr. Shawn Huston
- Councilors: Dr. Peter Gund, Prof. Peter Jurs, Dr. Michelle Francl-Donnay
1998
- Chair: Dr. Frank Brown
- Chair-Elect: Dr. George Famini
- Secretary: Dr. Michelle Francl
- Treasurer: Dr. Walter E. Reiher III
- Program: Dr. Dominic Ryan
- Membership: Dr. Charles H. Reynolds
- Newsletter Editor: Dr. Lisa E. Chirlian
- Councilors: Dr. Peter Gund, Prof. Peter Jurs, Dr. Thomas H. Pierce III
1997
- Chair: Dr. Charles H. Reynolds
- Chair-Elect: Dr. Frank Brown
- Secretary/Memberhip: Dr. Michelle Francl
- Treasurer: Dr. Walter E. Reiher III
- Program: Dr. George Famini
- Newsletter Editor: Dr. Douglas A. Smith
- Newsletter Co-Editor: Dr. Lisa E. Chirlian
- Councilors: Dr. Peter Gund, Dr. George W. A. Milne, Dr. Thomas H. Pierce III
1996
- Chair: Dr. Christopher J. Cramer
- Chair-Elect/Membership: Dr. Charles H. Reynolds
- Secretary: Dr. Michelle Francl
- Treasurer: Dr. Walter E. Reiher III
- Program: Dr. George Famini
- Newsletter Editor: Dr. Douglas A. Smith
- Newsletter Co-Editor: Dr. Lisa E. Chirlian
- Councilors: Dr. George W. A. Milne, Dr. Peter Gund, Dr. Thomas H. Pierce III
1995
- Chairman/Editor: Dr. Doulas A. Smith
- Chair-Elect/Membership: Dr. Christopher J. Cramer
- Secretary: Dr. M. Katharine Holloway
- Treasurer: Dr. Charles H. Reynolds
- Program: Dr. George Famini
- Councilors: Dr. George W. A. Milne, Dr. Thomas H. Pierce III, Stephen R. Heller
- Alternate Councilors: Dr. Peter C. Jurs, Dr. Walter E. Reiher III
1994
- Chair: Dr. Karen Rappaport
- Chair-Elect: Prof. Douglas A. Smith
- Secretary/Membership: Dr. M. Katherine Holloway
- Treasurer: Dr. Charles H. Reynolds
- Program: Dr. Angelo Rossi
- Newsletter Editor: Dr. Thomas Pierce
- Councilors: Dr. Stephen R. Heller, Dr. George W. A. Milne, Dr. Thomas Pierce
- Alternate Councilors: Dr. Peter C. Jurs, Dr. Stephen E. Stein.
1974 - Probationary Period
- Chairman: Peter Lykos, IIT, Chicago
- Vice Chairman: Edward Olson, The Upjohn Company, Kalamazoo
- Secretary: Rudolph Marcus, Office of Naval Research, Pasadena
- Treasurer: William Lester, IBM Research, San Jose
- Member at Large: Janet Del Bene, Youngstown University, Ohio
- Member at Large: Bruce Kowalski, University of Washington, Washington
- Member at Large: Frank Harris, University of Utah, Utah