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. 2022 Jul 19;8(8):e10003. doi: 10.1016/j.heliyon.2022.e10003

Table 8.

Descriptors values for newly designed pyrazole carbohydrazide derivatives and their predicted anticancer activity against breast cancer cell line MDA-MB-231 calculated according to the developed 2D-QSAR mathematical model.

New Designed Molecules PEOE_VSA+1 Q_PC- Q_VSA_HYD pIC50
Image 17 262.26163 -5.3779998 103.71861 10.65
Image 18 248.67508 -4.7010002 105.47758 9.97
Image 19 259.86563 -4.6900001 143.79411 9.81
Image 20 214.76222 -4.8200002 121.93649 9.26
Image 21 194.46271 -5.0570002 121.4611 9.03
Image 22 185.35376 -5.0570002 128.16064 8.80