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(A) The structure of text sets. (B) The structure of training sets. (C) Pharmacophore model of 5-HT1AR ligand mapping with compound 127, containing one acceptor center (green), one positive ionizable center (red) and one hydrophobic center (blue). (D) Mapping of two test set compounds onto ligand-based pharmacophores; all mappings were marked with different colors, and high scores referred to good fits.
