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Therefore, this approach does not differentiate them structurally and, in the worst case, almost identical molecules can be in training and test sets, introducing data leakage

Thomas D, 2018, 'The cancer molecular screening and therapeutics program (MoST): A molecular screening platform with multiple, parallel, signal-seeking therapeutic substudies', in Annals of oncology : official journal of the European Society for Medical Oncology , Vol

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Beta-glucocerebrosidase activity in mammalian stratum corneum