Courtesy of the annual collections reported by Roland E. Dolle in the Journal of Combinatorial Chemistry, all three-point diverse libraries reported in the literature since 1992 have been evaluated according to their similarity at the library level (the Diversity Space approach).(1) This comparison enabled the identification of several particularly promising scaffold hopping opportunities and highlighted a number of optimal libraries (surrogates) expected to reveal binding information characteristic of an entire area of chemical space. As highlighted herein, future library design pursuits would benefit from a methodology such as the Diversity Space approach to ensure access to novel areas within the chemical landscape, thereby avoiding the expenditure of additional resources to cover a previously explored region.
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机译：根据Roland E. Dolle在《组合化学杂志》上报告的年度收藏，自1992年以来文献中报道的所有三点式多样化图书馆均已根据其在图书馆层面的相似性进行了评估（多样性空间法）。（1 ）这种比较能够识别出几个特别有希望的脚手架跳跃机会，并着重指出了有望揭示整个化学空间区域结合信息特征的许多最佳文库（替代物）。如此处突出显示的那样，未来的图书馆设计追求将受益于诸如多样性空间方法之类的方法，以确保能够访问化学领域内的新颖区域，从而避免花费额外资源来覆盖先前探索过的区域。
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