2 citations · 3 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2020★ 2 cited
Learning to Make Chemical Predictions: the Interplay of Feature Representation, Data, and Machine Learning Algorithms
Mojtaba Haghighatlari, Jie Li, Farnaz Heidar-Zadeh +3
Recently supervised machine learning has been ascending in providing new predictive approaches for chemical, biological and materials sciences applications. In this Perspective we…
physics.chem-ph2019★ 1 cited
Accurate Prediction of Chemical Shifts for Aqueous Protein Structure for "Real World" Cases using Machine Learning
Jie Li, Kochise C. Bennett, Yuchen Liu +2
Accurate prediction of NMR chemical shifts can in principle help refine aqueous solution structure of proteins to the quality of X-ray structures. We report a new machine learning…