Extended Data Fig. 5: LDA of RNA functional data.
From: Designing small molecules targeting a cryptic RNA binding site through base displacement
a, Plot of the fold repression (FR) values for Cbls 1-44, where the data have been normalized to the value for MeCbl. On this basis, we clustered our derivatives into three groups: strong (FRrel(MeCbl) < 0.3), moderate (FRrel(MeCbl) = 0.3-0.7), and weak (KD,rel(MeCbl) > 0.7) repressors. b, LDA plot for PC1 and PC2 depicting the clustering of the three functional groups and their centroids using chemoinformatic parameters (Supplementary Table 1). c, LDA loading plot of the contributions of each chemoinformatic parameter on PC1 and PC2, with the most obvious descriptor colored by the functional cluster that they best explain (for example, number of aromatic rings, ArRings; number of hydrogen bond donors, HBD; and fraction of sp3 centers, Fsp3).
