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An Empirical Comparison of Machine and Deep Learning Algorithms’ Performance on Chemical Data

Published: 30 December 2021 Publication History

Abstract

Chemoinfomratics is a field which is concerned with modelling chemical data using computational methods. Over the years, machine learning algorithms such as support vector machine and random forest have gained popularity in modelling chemical classification problems. However, the rapid development of deep learning algorithms and explosion of chemical and biological data, have contributed to an extensive growth of deep learning studies. This paper presents an empirical comparison between some machine learning and deep learning algorithms on chemical data. The comparison is conducted based on multiple accuracy measures to investigate their learning ability. Our empirical results provide evidence of deep learning models superiority over machine learning models.

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          iiWAS2021: The 23rd International Conference on Information Integration and Web Intelligence
          November 2021
          658 pages
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          Published: 30 December 2021

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          Author Tags

          1. Chemoinformatics
          2. and long short-term memory (LSTM)
          3. convolutional neural networks (CNN)
          4. feedforward deep neural networks (FFDNN)
          5. recurrent neural networks (RNN)

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