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Takeda, Shigefumi, Yoshio Kase, Ichiro Arai, Yasufumi Ohkura, Masayuki Hasegawa, Yuko Sekiguchi, Akemi Tatsugi, Shuji Funo, Masaki Aburada, and Eikichi Hosoya

Bioinformatics 30 , 224754, doi:10.1093/bioinformatics/btu205 (2014)

Compounds were annotated by matching to LCMS method-specific retention time values of external standards and MS 2 spectral matching to external standards and the mzCloud database (Thermo Scientific)

By integrating effect directions and robustness across models, we identified most potential drug candidates, evaluated the efficacy of novel strategies, and recognized critical translational gaps