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Fig. 10 | Journal of Cheminformatics

Fig. 10

From: Implicit-descriptor ligand-based virtual screening by means of collaborative filtering

Fig. 10

Implicit target fingerprints: t-SNE plot reducing the dimensions of the 50-dimensional implicit fingerprints into two dimensions for a subset of targets in the ChEMBL database, highlighting known cancer and thyroid related protein targets. The method successfully clusters related targets close to each other,as indicated in the zoomed version of the largest cluster of cancer targets. Interestingly the clusters also contain other targets which are found to have expressions with known cancer/thyroid targets as in the example of Vascular Endothelial Growth Factor Receptor-2 Expression in breast cancer 1 protein

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