fig9

Decoding donor/acceptor hierarchy in DAD triads via fragment-centric machine learning

Figure 9. Compositional analysis of D/A fragments for ΔETT and ΔEST subpopulations: (A) donor distribution and (B) acceptor distribution with representative substituents (TPB and DPP, repectively) for top 500 large-ΔETT DADs; (C and D) Equivalent distributions for top 500 small-ΔEST performers (PTZ/MI-dominated). D/A: Donor/acceptor; DADs: donor–acceptor–donor triads.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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