Insights into deep learning framework for molecular property prediction based on different tokenization algorithms

Author:

Yan Jianlin,Zhang Zhenyu,Meng Miaomiao,Li Jun,Sun Lanyi

Funder

National Natural Science Foundation of China

Publisher

Elsevier BV

Subject

Applied Mathematics,Industrial and Manufacturing Engineering,General Chemical Engineering,General Chemistry

Reference55 articles.

1. Large-scale distributed training of transformers for chemical fingerprinting;Abdel-Aty;J. Chem. Inf. Model.,2022

2. Agarap, A.F., 2018. Deep learning using rectified linear units (relu). arXiv preprint arXiv:1803.08375.

3. Learning matter: materials design with machine learning and atomistic simulations;Axelrod;Acc. Mater. Res.,2022

4. A grand product design model for crystallization solvent design;Chai;Comput. Chem. Eng.,2020

5. Crystallization solvent design based on a new quantitative prediction model of crystal morphology;Chai;AIChE J,2021

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