Additional file 2. Â Training data set with activity cutoff 1Â Îźm.

Figshare2017-02-21 更新60

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The kinome-wide virtual profiling of small molecules with high-dimensional structure–activity data is a challenging task in drug discovery. Here, we present a virtual profiling model against a panel o

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The prediction of biological targets of bioactive molecules from machine-readable materials can be routinely performed by computational target prediction tools (CTPTs). However, the prediction of biol

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