Chemi-Net: A Molecular Graph Convolutional Network for Accurate Drug Property Prediction
نویسندگان
چکیده
منابع مشابه
Chemi-net: a graph convolutional network for accurate drug property prediction
Absorption, distribution, metabolism, and excretion (ADME) studies are critical for drug discovery. Conventionally, these tasks, together with other chemical property predictions, rely on domain-specific feature descriptors, or fingerprints. Following the recent success of neural networks, we developed Chemi-Net, a completely data-driven, domain knowledge-free, deep learning method for ADME pro...
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ژورنال
عنوان ژورنال: International Journal of Molecular Sciences
سال: 2019
ISSN: 1422-0067
DOI: 10.3390/ijms20143389