Prediction of Molecular Properties Using Molecular Topographic Map

Prediction of Molecular Properties Using Molecular Topographic Map

Prediction of molecular properties plays a critical role towards rational drug design. In this study, the Molecular Topographic Map (MTM) is proposed, which is a two-dimensional (2D) map that can be used to represent a molecule. An MTM is generated from the atomic features set of a molecule using ge...

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Bibliographic Details
Main Author: Atsushi Yoshimori
Format: Article
Language:English
Published: MDPI AG 2021-07-01
Series:Molecules
Subjects:
generative topographic mapping
convolutional neural network
property prediction
data augmentation
Online Access:https://www.mdpi.com/1420-3049/26/15/4475

Internet

https://www.mdpi.com/1420-3049/26/15/4475

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