About

The CADD Group's Chemoinformatics Tools and User Services is the public web server of the Computer-Aided Drug Design (CADD) Group of the Laboratory of Medicinal Chemistry (LMC), NCI, NIH located at NCI-Frederick. It was formerly called the "Frederick/Bethesda Data and Online Services"; and before that the "Erlangen/Bethesda Data and Online Services" since it started some time in 1997 as a collaboration between NCI's Laboratory of Medicinal Chemistry, then in Bethesda, and researchers at the Computer Chemistry Center (CCC) at the University of Erlangen-Nuremberg, Germany.

The purpose of this service is to provide to the public structures, data, tools, programs and other useful information. In addition to current and former members of the CADD Group, many others, both individuals and companies or their representatives, have contributed to these services. They are gratefully acknowledged in the individual services, such as in the Credits page of the Enhanced NCI Database Browser Release 2.

No access restrictions are placed, and the general public is invited to use this site; however, the information is NOT GEARED toward the general public, and will probably be most useful for researchers working with, or interested in, chemical information, in particular for research groups engaged in computer-aided drug design.

All those data on this site that originated at the NCI are by definition public domain. So are many other data coming from other U.S. Government agencies. However, other data on this server, if they come from commercial entities, may have rights retained or certain usage restrictions imposed by their original suppliers. Also, links to other Web sites that we provide as a service to the user may lead to pages with usage restrictions of those sites as well as of the results obtained from them.

The current main contributors to the services are:

• Marc C. Nicklaus (home page) - Head, CADD Group, LMC, Center for Cancer Research, NCI, NIH.
• Markus Sitzmann - Postdoctoral Visiting Fellow at the LMC, graduate from the CCC.
• Igor V. Filippov - System Administrator and Scientist [SAIC]
• Wolf-Dietrich Ihlenfeldt - he is the author of the chemoinformatics toolkit CACTVS, on which most of the web services offered here are based, and main implementor of the Enhanced NCI Database Browser. He also worked in the Structure Group of the Computational Biology Branch, NCBI, NLM, NIH in the team implementing the PubChem project.

Former "team members" are:

• Frank Oellien - Graduate from the CCC, currently working at Intervet Innovation GmbH.
• Bruno Bienfait - Former postdoctoral Visiting Fellow at the LMC, currently working at the CCC.
• Johannes H. Voigt - Former postdoctoral Visiting Fellow at the LMC, currently working at the Schering-Plough Research Institute.
• Guangyu Sun - Former postdoctoral Visiting Fellow at the LMC, currently working at Leadscope, Inc.