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Hybrid fragment-SMILES tokenization for ADMET prediction in drug discovery.
Nicholas Aksamit
Alain Tchagang
Yifeng Li
Beatrice M. Ombuki-Berman
Published in:
BMC Bioinform. (2024)
Keyphrases
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drug discovery
drug design
subcellular localization
chemical compounds
virtual screening
pharmaceutical industry
early stage
scientific data
data mining
discovery process
information retrieval
decision trees
data model
knowledge discovery
high throughput
biological systems