Using Deep 1D Convolutional Grated Recurrent Unit Neural Network to Optimize Quantum Molecular Properties and Predict Intramolecular Coupling Constants of Molecules of Potential Health Medications and Other Generic Molecules

Using Deep 1D Convolutional Grated Recurrent Unit Neural Network to Optimize Quantum Molecular Properties and Predict Intramolecular Coupling Constants of Molecules of Potential Health Medications and Other Generic Molecules

A molecule is the smallest particle in a chemical element or compound that possesses the element or compound’s chemical characteristics. There are numerous challenges associated with the development of molecular simulations of fluid characteristics for industrial purposes. Fluid characteristics for...

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Bibliographic Details
Main Authors: David Opeoluwa Oyewola, Emmanuel Gbenga Dada, Onyeka Emebo, Olugbenga Oluseun Oluwagbemi
Format: Article
Language:English
Published: MDPI AG 2022-07-01
Series:Applied Sciences
Subjects:
deep learning
molecular property prediction
gated recurrent unit
convolutional neural network
convolutional gated recurrent unit neural network
Online Access:https://www.mdpi.com/2076-3417/12/14/7228

Internet

https://www.mdpi.com/2076-3417/12/14/7228

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