Optimization library contents

Demands for analytical techniques are different at different stages of library development. The information content of analytical methods is crucial in the early stages of library development, when it is necessary to elucidate the structure of intended compounds and any side products. During the optimization of reaction conditions and the evaluation of building blocks, the ability to combine analytical methods with separation techniques plays an essential role. At the later stages, when hundreds and even thousands of compounds need to be measured, high throughput becomes one of the primary requirements. 

Library design is also influenced by the purpose of the library to be synthesized. For lead generation studies a diverse set of compounds is desired, whereas for lead optimization studies, the library should represent compounds that will provide a representational structure-activity relationship (SAR) for the structural scaffold under investigation. For compounds to be used in HTS, members of the library should be chosen that will provide the maximum information content when evaluated in the screening system. 

Nishikawa RM, Schmidt RA, Metz CE (2007) Computer-aided screening mammography. N Engl J Med 357 83-85 Paquerault S, Petrick N, Chan HP, et al (2002) Improvement of computerized mass detection on mammograms fusion of two-view information. Med Phys 29 238-247 Park SC, Sukthankar R, Murnmert L, Satyanarayanan M,Zheng B (2007) Optimization of reference library used in content-based medical image retrieval scheme. Med Phys 34 4331-4339... 

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