BESTox: A Convolutional Neural Network Regression Model Based on Binary-Encoded SMILES for Acute Oral Toxicity Prediction of Chemical Compounds

Jiarui Chen, Hong-Hin Cheong, Shirley Weng In Siu. BESTox: A Convolutional Neural Network Regression Model Based on Binary-Encoded SMILES for Acute Oral Toxicity Prediction of Chemical Compounds. In Carlos Martín-Vide, Miguel A. Vega-Rodríguez, Travis J. Wheeler, editors, Algorithms for Computational Biology - 7th International Conference, AlCoB 2020, Missoula, MT, USA, April 13-15, 2020, Proceedings [due to COVID-19 postponed to AlCoB 2021]. Volume 12099 of Lecture Notes in Computer Science, pages 155-166, Springer, 2020. [doi]

Abstract

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