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3 results in Keywords: decision tree

Theoretical and Computational Chemistry

A Subgraph Isomorphic Decision Tree to Predict Radical Thermochemistry with Bounded Uncertainty Estimation

Hao-Wei Pang, Xiaorui Dong, Matthew S. Johnson, William H. Green

Version 1 posted 31 January 2024

173

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Theoretical and Computational Chemistry

Machine Learning Analysis for Photo-Induced Phenomena of 1-Methyl-3-(N-(1,8- Naphthalimidyl)ethyl)imidazolium Salts

Takehiro Fujita, Kei Terayama, Masato Sumita, Hironori Izawa, Koji Tsuda, Kenji Morihashi

Version 1 posted 20 November 2020

362

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1

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Organic Chemistry

Anomeric Selectivity of Glycosylations Through a Machine Learning Lens

Natasha Videcrantz Faurschou, Victor Friis, Priyanka Raghavan, Christian Marcus Pedersen, Connor W. Coley

Version 1 posted 15 November 2024

232

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