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Analysis of chronological split molecular similarity statistics across 788 protein targets. Mean values over each distribution are written in parentheses. (a) Comparison between mean test-test (0.73), train-train (0.74), and test-train (0.53) molecular similarities. (b) Comparison between training set and test set time slice (validation—0.60, test-early—0.53, and test-late—0.47) molecular similarities
