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Tong Wang et al.
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David S. Wishart et al.
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David Fooshee et al.
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SimBoost: a read-across approach for predicting drug-target binding affinities using gradient boosting machines
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Han Altae-Tran et al.
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Zheng Xu et al.
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Damian Szklarczyk et al.
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BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology
Michael K. Gilson et al.
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Convolutional neural network architectures for predicting DNA-protein binding
Haoyang Zeng et al.
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Junshui Ma et al.
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Babak Alipanahi et al.
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Lei Chen et al.
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Jing Tang et al.
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C. Da et al.
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James T. Metz et al.
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David Rogers et al.
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Joerg Behler et al.
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