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cs.LG2021
Docking-based Virtual Screening with Multi-Task Learning
Zijing Liu, Xianbin Ye, Xiaomin Fang +3
Machine learning shows great potential in virtual screening for drug discovery. Current efforts on accelerating docking-based virtual screening do not consider using existing data…
cs.LG2021★ 1 cited
Similarity measure for sparse time course data based on Gaussian processes
Zijing Liu, Mauricio Barahona
We propose a similarity measure for sparsely sampled time course data in the form of a log-likelihood ratio of Gaussian processes (GP). The proposed GP similarity is similar to a B…