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PCA plot of the complete set of ABAD compounds. The first three eigenvectors are shown (PCA1, PCA2 and PCA3), which constituted 63 % of the variance. The spheres indicate the position of each of the 45 compounds. Based on SlogP a clear separation is observed. Those compounds with calculated SlogP (<2 ), are shown as magenta spheres) are clustered about PCA1 = 1, PCA2 = 2, PCA3 = 2). Those spheres in red are calculated >4, and green designate between these extremes.
