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Molecular persistent spectral image (Mol-PSI) representation for machine learning models in drug design.
Peiran Jiang
Ying Chi
Xiao-Shuang Li
Xiang Liu
Xian-Sheng Hua
Kelin Xia
Published in:
Briefings Bioinform. (2022)
Keyphrases
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drug design
machine learning models
image segmentation
image classification
drug discovery
quantitative structure activity
data sets
machine learning algorithms
machine learning approaches
similarity measure
segmentation method
information retrieval
protein structure prediction