Downloaded by 80.82.77.83 on May 10, 2017 | http://pubs.acs.org Publication Date (Web): October 5, 2016 | doi: 10.1021/bk-2016-1222.pr001
Preface The 2015 Herman Skolnik Award Symposium, held at the 250th National Meeting of the American Chemical Society in Boston, USA, brought together well-known investigators from around the world (including the U.S., Europe, and Asia) who are scientifically active in the broadly defined areas of chemical information science — with special emphasis on chemical informatics — and computer-aided molecular design. Presenters came from academia as well as the pharmaceutical industry. The Symposium was organized with the strong support of — and chaired by — Dr. Veerabahu Shanmugasundaram, whose invaluable contributions made it a reality. The chosen theme of the Symposium was “Pioneers, Peers, and the Next Generation.” Accordingly, speakers were selected to reflect the scientific evolution of the field (to the extent possible) and included: senior investigators whose pioneering contributions have shaped chemical informatics; other current leaders in the field; and outstanding junior investigators to whom the torch will be passed on in the future. The latter group exclusively consisted of former students of mine who I had taken liberty to select (which was — I would hope — the only selfish act on this occasion), although many others would have deserved to be invited. This book has resulted from the 2015 Herman Skolnik Award Symposium. Without an exception, all presenters agreed to contribute — and did follow through, yielding a total of 15 scientific chapters covering a wide spectrum of topics, including: an historical account, key developments, practical applications, and novel computational methodologies. As put forward by Dr. Rachelle J. Bienstock of the ACS Division of Chemical Information, co-organizer of the Symposium, it is also hoped that this book might set the stage for subsequent ACS book publications covering future Herman Skolnik Award Symposia. Dr, Bienstock also provided an introductory chapter summarizing the scientific contributions in context. First and foremost, I would like to thank all invited speakers for making the Symposium a memorable event and for their great contributions to this book. In addition, special thanks go to my co-editors as well as to Arlene Furman of ACS Books for her excellent editorial help and technical support in preparing this book. We sincerely hope that the readers might enjoy it as much as we do. Jürgen Bajorath
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Rachelle J. Bienstock RJB Computational Modeling LLC Chapel Hill, NC 27514
Downloaded by 80.82.77.83 on May 10, 2017 | http://pubs.acs.org Publication Date (Web): October 5, 2016 | doi: 10.1021/bk-2016-1222.pr001
Veerabahu Shanmugasundaram Center of Chemistry Innovation & Excellence, WorldWide Medicinal Chemistry Pfizer Worldwide Research & Development Groton, CT 06340
Jürgen Bajorath Department of Life Science Informatics, B-IT University of Bonn Bonn 53113, Germany Department of Biological Structure Seattle, WA 98195 University of Washington
x Bienstock et al.; Frontiers in Molecular Design and Chemical Information Science - Herman Skolnik Award Symposium 2015: ... ACS Symposium Series; American Chemical Society: Washington, DC, 2016.
