Skip to main content
Figure 11 | Journal of Cheminformatics

Figure 11

From: Are phylogenetic trees suitable for chemogenomics analyses of bioactivity data sets: the importance of shared active compounds and choosing a suitable data embedding method, as exemplified on Kinases

Figure 11

Multi-dimensional scaling (MDS) of kinases in bioactivity space after omission of kinases with too few shared activities. Kinases are colored according to their sequence-based classification [5]. A low average signed relative stress level of 0.28 was obtained, meaning that the 2D representation of the kinases involves a low loss of information. Gray lines connect similar kinases. The outliers, based on fingerprint enrichment profiles, are grouped in 2 clusters (indicated by a red line), located far away from each other in bioactivity space, rather than a large one. The kinases VEGFR3, ACK1 and LYN are located far away from the non-outlier kinases, whereas the kinases CSK21, CSK22, IGF1R and WNK2 are located much closer to the non-outliers.

Back to article page

Journal of Cheminformatics

ISSN: 1758-2946

Contact us