Prediction of cyclodextrin derivative’s complexation free energy using machine learning

○Junya Nakamura

1:30 PM - 3:10 PM

[27PO9-pm1-20S] Prediction of cyclodextrin derivative’s complexation free energy using machine learning

○Junya Nakamura¹, Hidetoshi Arima¹, Masaaki Katsuki¹, Mitsuru Irikura¹ (1. Laboratory of Evidence-Based Pharmacotherapy, School of Pharmacy, Daiichi University of Pharmacy)

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Presentation information

[27PO9-pm1] Physical Chemistry-3/Biophysics-2/Informatics, in silico chemistry (computational chemistry)-2

[27PO9-pm1-20S] Prediction of cyclodextrin derivative’s complexation free energy using machine learning

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