Rapid and Accurate Prediction of pKa Values of C–H Acids Using Graph Convolutional Neural Networks
Authors: Rafał Roszak, Wiktor Beker, Karol Molga, Bartosz A. Grzybowski
Published in: Journal of the Americal Chemical Society
Publication type: article
Subject areas: Biochemistry, Genetics and Molecular Biology; Chemical Engineering; Chemistry
SJR best quartile: Q1