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. 2021 Jul 2;61(7):3314–3322. doi: 10.1021/acs.jcim.1c00168

Figure 2.

Figure 2

Molecular substructure enrichment in compounds with anticancer activity. (A) The first fragment occurred 6.50% in active and 1.78% in inactive molecules, tested against the CNS, ovarian, and non-small-cell lung cancer cell panels (lines). (B) The second fragment occurred 5.95% in active and 1.86% in inactive molecules, tested against leukemia, renal, and breast cancer cell panels. (C) The third fragment was identified in 6.58% in active and 1.70% in inactive molecules, tested against prostate (not shown), melanoma, and colon cancer cell lines. (D) The fourth fragment was found in 11% in active and 2.0% in inactive compounds, tested against small lung cancer cell lines.