Tzuhsiung Yang

A quantitative uncertainty metric controls error in neural network-driven chemical discovery

Jon Paul Janet, Chenru Duan, Tzuhsiung Yang et al. · Chemical Science · 2019 · 228 citations · Full text

Computing, Chemistry, Computer Science +16

Catalyst-Controlled and Tunable, Chemoselective Silver-Catalyzed Intermolecular Nitrene Transfer: Experimental and Computational Studies

Nicholas S. Dolan, Ryan J. Scamp, Tzuhsiung Yang et al. · Journal of the American Chemical Society · 2016 · 154 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17

Designing in the Face of Uncertainty: Exploiting Electronic Structure and Machine Learning Models for Discovery in Inorganic Chemistry

Jon Paul Janet, Fang Liu, Aditya Nandy et al. · Inorganic Chemistry · 2019 · 132 citations · Full text

Natural Sciences, Chemistry, Materials Science +16

Rh₂(II,III) Catalysts with Chelating Carboxylate and Carboxamidate Supports: Electronic Structure and Nitrene Transfer Reactivity

Adrián Varela‐Álvarez, Tzuhsiung Yang, Heather Jennings et al. · Journal of the American Chemical Society · 2016 · 101 citations

Natural Sciences, Chemistry, Catalysis +16

Singlet versus Triplet Reactivity in an Mn(V)–Oxo Species: Testing Theoretical Predictions Against Experimental Evidence

Tzuhsiung Yang, Matthew G. Quesne, Heather M. Neu et al. · Journal of the American Chemical Society · 2016 · 97 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +15