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Deep learning integration of molecular and interactome data for protein–compound interaction prediction

MOTIVATION: Virtual screening, which can computationally predict the presence or absence of protein–compound interactions, has attracted attention as a large-scale, low-cost, and short-term search method for seed compounds. Existing machine learning methods for predicting protein–compound interactio...

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Bibliografiska uppgifter
I publikationen:J Cheminform
Huvudupphovsmän: Watanabe, Narumi, Ohnuki, Yuuto, Sakakibara, Yasubumi
Materialtyp: Artigo
Språk:Inglês
Publicerad: Springer International Publishing 2021
Ämnen:
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC8088618/
https://ncbi.nlm.nih.gov/pubmed/33933121
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-021-00513-3
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