Fig. 3: Experimental validation of machine learning predictions. | Nature Communications

Fig. 3: Experimental validation of machine learning predictions.

From: Machine learning guided aptamer refinement and discovery

Fig. 3

a Observed affinity for experimental seeds used in machine learning guided particle display (MLPD). Greens correspond to sequences at particular affinity thresholds (with darker greens indicating higher affinity); white corresponds to sequences below the lowest screened affinity, and gray corresponds to sequences with ambiguous affinity. b Candidates generated by three machine learning (ML) model walks (SuperBin (blue), Binned (orange), Counts (purple)) and Random walks (Red) as a fraction of the input pool size. The MLPD panels show ML-directed walks starting from (top) the original particle display experimental (expt.) seeds, (middle) randomly screened and model ranked ML seeds, (bottom) completely random seeds. Independent of the seed category, the ML-directed walks substantially outperform random walks and the original particle display.

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