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. 2025 Aug 19;39(1):67. doi: 10.1007/s10822-025-00648-7

Table 6.

Molecular descriptors used to train ANN models

Symbol Variable rank Importance
Mor05u 100 1.000000
MATS1s 98 0.975098
R3v + 85 0.850106
R2s 83 0.832084
GGI2 79 0.787630
RDF030u 74 0.740510
SpMin8_Bh(m) 71 0.712326
SpPosA_B(m) 70 0.697505
VE2_B(p) 69 0.691941
VE1_D/Dt 67 0.673839