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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold hopping capability

Fig. 5

Comparison of compound rankings for the three prediction models. The top scoring 1000 compounds predicted using the BaSH are shown. The rankings of the same compounds in the HTSFP model (Y-axis) and the ECFP4 model (X-axis) are compared. The green and orange dots represent active and inactive compounds, respectively. The dashed line boarders the upper right quadrant, which refers to rankings outside the top 1000 rankings for the HTSFP and EFCP4. Results from two test assays are shown in the plots left: AID 463104 and right: AID 624414

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Journal of Cheminformatics

ISSN: 1758-2946

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