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. 2016 Dec 9:2201–2230. doi: 10.1007/978-3-319-27282-5_57

Table 4.

Virtual screening results for the most promising compounds in PubChem database

ID Compound Predicted value PaCa2 cellular uptake (log10 [NP]/cell) Domain of applicability (limit: 2.153)
679 graphic file with name 215733_2_En_57_Figa_HTML.gif 4.41 0.03
604 graphic file with name 215733_2_En_57_Figb_HTML.gif 4.41 0.01
958 graphic file with name 215733_2_En_57_Figc_HTML.gif 4.41 0.06
676 graphic file with name 215733_2_En_57_Figd_HTML.gif 4.40 0.01
678 graphic file with name 215733_2_En_57_Fige_HTML.gif 4.40 0.05
677 graphic file with name 215733_2_En_57_Figf_HTML.gif 4.39 0.02
107 graphic file with name 215733_2_En_57_Figg_HTML.gif 4.39 0.02
368 graphic file with name 215733_2_En_57_Figh_HTML.gif 4.38 0.10
293 graphic file with name 215733_2_En_57_Figi_HTML.gif 4.37 0.09
493 graphic file with name 215733_2_En_57_Figj_HTML.gif 4.37 0.10