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. 2026 Sep 14;19(9):1458. doi: 10.3390/ph19091458
CI Concordance Index;
DTA Drug-Target Affinity;
EZH2 Enhancer of Zeste Homolog 2;
KAN Kolmogorov-Arnold Network;
GAT Graph Attention Network;
GCN Graph Convolutional Network;
GIN Graph Isomorphism Network;
GNN Graph Neural Network;
KAN-GIN Kolmogorov-Arnold Graph Isomorphism Network;
MAE Mean Absolute Error;
MLP Multilayer Perceptron;
MSE Mean Squared Error;
RMSE Root-Mean-Square Error;
SMILES Simplified Molecular Input Line Entry System;
TPSA Topological Polar Surface Area;
DB Davies-Bouldin;
CH Calinski-Harabasz;
kNN k-Nearest Neighbors;