Conclusions

While small-molecule crystal structure analysis may be regarded as a mature technique, the results of every structure determination are valuable not just for the reasons that prompted the original analysis but also to provide structural information for other scientists in a very wide range of disciplines. This chapter has tracked the unique journey of crystal structures from the creation of a database and its access software, through the acquisition of knowledge and the creation of knowledge bases of structural information, to the use of this stored knowledge to solve problems in the life sciences. When taken together in this way, the rapidly growing reservoir of information that is embodied in the CSD, and in the other crystallographic databases, will continue to provide the precise experimental data that are crucial to the processes of lead discovery and rational molecular design. Indeed, the projected growth of the CSD, now rapidly approaching its half-millionth crystal structure, can only increase its already considerable chemical diversity, and make it an even more potent research tool in the future.

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Biographies

Frank H Allen is Executive Director of the Cambridge Crystallographic Data Centre, where he has worked since 1970, following undergraduate and graduate studies in chemistry and crystallography at Imperial College, London, and postdoctoral work at the University of British Columbia, Vancouver. At the Cambridge Crystallographic Data Centre he has been involved in creating the Cambridge Structural Database (CSD), software development, and in research applications of CSD data. He has authored or co-authored more than 200 publications, and has edited 16 reference books and conference proceedings. He became a Fellow of the Royal Society of Chemistry in 1992, was awarded the RSC Silver Medal and Prize for Structural Chemistry in 1994, and the Herman Skolnik Award of the American Chemical Society Division of Chemical Information in 2003. He was appointed Visiting Professor of Chemistry at the University of Bristol in 2002. He has held a range of senior positions in the British and European Crystallographic Associations and in the International Union of Crystallography (IUCr), including the Editorship of Acta Crystallographica, Section B from 1993 to 2002.

Gary M Battle graduated with a BSc in chemistry from the University of Essex in 1998. He moved to the University of Warwick, where he completed a PhD in synthetic organic chemistry with Dr Andrew Clark, in 2002. He then joined the Cambridge Crystallographic Data Centre as an Applications Scientist in the Applications & Marketing Group.

Susan Robertson graduated from Heriot-Watt University, Edinburgh, in 1999 with a BSc in chemistry with French. She then completed a PhD in carborane chemistry with Prof Alan Welch in 2002. She subsequently joined the CCDC as an Applications Scientist in the Applications & Marketing Group.

© 2007 Elsevier Ltd. All Rights Reserved Comprehensive Medicinal Chemistry II

No part of this publication may be reproduced, stored in any retrieval system or transmitted ISBN (set): 0-08-044513-6 in any form by any means electronic, electrostatic, magnetic tape, mechanical, photocopying, recording or otherwise, without permission in writing from the publishers ISBN (Volume 3) 0-08-044516-0; pp. 389-410

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