drug design data resource
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scholarly journals A review of mathematical representations of biomolecular data

2020 ◽  
Vol 22 (8) ◽  
pp. 4343-4367 ◽  
Author(s):  
Duc Duy Nguyen ◽  
Zixuan Cang ◽  
Guo-Wei Wei
Keyword(s):  
Machine Learning ◽  
Drug Design ◽  
Computational Biology ◽  
Structure Prediction ◽  
Critical Assessment ◽  
Drug Design Data Resource ◽  
Design Data ◽  
Data Resource ◽  
Mathematical Representations ◽  
Grand Challenges

Recently, machine learning (ML) has established itself in various worldwide benchmarking competitions in computational biology, including Critical Assessment of Structure Prediction (CASP) and Drug Design Data Resource (D3R) Grand Challenges.

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