Experimental Error, Kurtosis, Activity Cliffs, and Methodology: What Limits the Predictivity of Quantitative Structure-Activity Relationship Models?

Robert P. Sheridan, Prabha Karnachi, Matthew Tudor, Yuting Xu, Andy Liaw, Falgun Shah, Alan C. Cheng, Elizabeth Joshi, Meir Glick, Juan Alvarez. Experimental Error, Kurtosis, Activity Cliffs, and Methodology: What Limits the Predictivity of Quantitative Structure-Activity Relationship Models?. Journal of Chemical Information and Computer Sciences, 60(4):1969-1982, 2020. [doi]

Abstract

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