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Fig. 10 | Journal of Cheminformatics

Fig. 10

From: Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening

Fig. 10

Comparison between the spectrophore and topological distances calculated between the hits and all of the acetylcholinesterase inhibitors from the DUD-E dataset (453 compounds). Green shaded dots are the distances calculated between Z44853616 and the 453 DUD-E inhibitors, and blue shaded dots are the corresponding distances calculated for Z1723688652. The red dot indicates the calculated distances between Z44853616 and Z1723688652

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Journal of Cheminformatics

ISSN: 1758-2946

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