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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: A fast topological analysis algorithm for large-scale similarity evaluations of ligands and binding pockets

Fig. 4

Top search results for searching by: a cortisol (green dots hits with either steroidal scaffold or steroidal activity; purple dots with glucocorticoid activity, yellow dots with mineralocorticoid activity, red with estrogenic activity, black other), b ibuprofen (green dots NSAID hits). The colour legend represents the dissimilarity score (d) scale (see “Methods” section).

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