How Much Chemistry Does a Deep Neural Network Need to Know to Make Accurate Predictions?

Garrett B. Goh, Charles Siegel, Abhinav Vishnu, Nathan O. Hodas, Nathan Baker. How Much Chemistry Does a Deep Neural Network Need to Know to Make Accurate Predictions?. In 2018 IEEE Winter Conference on Applications of Computer Vision, WACV 2018, Lake Tahoe, NV, USA, March 12-15, 2018. pages 1340-1349, IEEE Computer Society, 2018. [doi]

Abstract

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