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Single-Step Retrosynthesis Prediction Based on the Identification of Potential Disconnection Sites Using Molecular Substructure Fingerprints.
Haris Hasic
Takashi Ishida
Published in:
J. Chem. Inf. Model. (2021)
Keyphrases
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single step
multi step
prediction accuracy
website
molecular structures
drug design
neural network
prediction error
three dimensional
partial order
protein structure prediction
fingerprint verification