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Figure 8 | Journal of Cheminformatics

Figure 8

From: Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets

Figure 8

PCA plots of the best and worst performing descriptor sets on the NNRTI benchmark. (A) The simplified representation of ProtFP (Feature) proves to be an advantage on this congeneric data set as the distance in PCA space better correlates to the distance in bioactivity space. (B) The ST-Scales on the other hand perform the least well, and it can be hypothesized that the tight clustering in one part of the plot does not correlate to bioactivity space.

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