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Table 4 Affinity score of PC9 and QM9 data projected onto the other dataset SOM

From: Dataset’s chemical diversity limits the generalizability of machine learning predictions

PC9 data on QM9 SOM0.84560.99730.8480
QM9 data on PC9 SOM0.93700.99890.9381
  1. The affinity score, the density term and the distance term are defined in "Self organizing maps analysis" section