Analyzing Learned Molecular Representations for Property Prediction

Yang, Kevin ; Swanson, Kyle ; Jin, Wengong ; Coley, Connor ; Eiden, Philipp ; Gao, Hua ; Guzman-Perez, Angel ; Hopper, Timothy ; Kelley, Brian ; Mathea, Miriam ; Palmer, Andrew ; Settels, Volker ; Jaakkola, Tommi ; Jensen, Klavs ; Barzilay, Regina

Journal of chemical information and modeling, 2019-08, Vol.59 (8), p.3370-3388 [Periódico revisado por pares]

United States: American Chemical Society

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