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Figure 3—figure supplement 1.

ID: ZDB-IMAGE-190723-994
Source: Figures for Diamantopoulou et al., 2019

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Figure Caption

Figure 3—figure supplement 1. Scaffold analysis of compound structures in the Tocriscreen Total and Spectrum libraries.

Two different methods were used to remove side chains and determine the core structures of each compound. Scaffolds were then compared and a histogram produced with the number of molecules per scaffold. The histograms on the left use Bemis and Murcko scaffolds (Bemis and Murcko, 1996), an example of which shown at the top. The histograms on the right were generated using CSK scaffolds. The number of scaffolds for each library is shown in the top right of each graph. An example BMS scaffold and CSK scaffold (obtained from the same compound) are shown above the histograms.

Acknowledgments

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