Original paper
An optimized deep convolutional neural network for yield prediction of Buchwald-Hartwig amination
Abstract
Nowadays deep convolutional neural networks (DCNN) have been made great achievements in the engineering fields of computer vision and natural language processing, but its application in chemical reactions remains limited. Herein, an effective DCNN model has been proposed and exemplarily applied to yield prediction of Buchwald-Hartwig amination on the basis of the characteristics of chemical datasets. By designing a pooling-free network framework...
Paper Details
Title
An optimized deep convolutional neural network for yield prediction of Buchwald-Hartwig amination
Published Date
Oct 1, 2021
Journal
Volume
550
Pages
111296 - 111296
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Notes
History