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Convolutional neural network based on SMILES representation of compounds for detecting chemical motif

BACKGROUND: Previous studies have suggested deep learning to be a highly effective approach for screening lead compounds for new drugs. Several deep learning models have been developed by addressing the use of various kinds of fingerprints and graph convolution architectures. However, these methods...

Πλήρης περιγραφή

Αποθηκεύτηκε σε:
Λεπτομέρειες βιβλιογραφικής εγγραφής
Τόπος έκδοσης:BMC Bioinformatics
Κύριοι συγγραφείς: Hirohara, Maya, Saito, Yutaka, Koda, Yuki, Sato, Kengo, Sakakibara, Yasubumi
Μορφή: Artigo
Γλώσσα:Inglês
Έκδοση: BioMed Central 2018
Θέματα:
Διαθέσιμο Online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6311897/
https://ncbi.nlm.nih.gov/pubmed/30598075
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s12859-018-2523-5
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