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. Author manuscript; available in PMC: 2023 Aug 15.
Published in final edited form as: Artif Intell Chem. 2023 Jun 3;1(1):100004. doi: 10.1016/j.aichem.2023.100004

Table 2.

Model performance in R2 on each cluster using MOE descriptors.

MOE Test set
Training set Cluster 1 Cluster 2 Cluster 3 Cluster 4
Cluster 1 0.841 0.088 0.485 0.237
Cluster 2 −5.898 0.721 −0.652 −0.029
Cluster 3 0.685 0.256 0.580 0.363
Cluster 4 −3.332 0.182 0.323 0.455