Bayesian Optimization-Assisted Screening to Identify Improved Reaction Conditions for Spiro-Dithiolane Synthesis

Bayesian Optimization-Assisted Screening to Identify Improved Reaction Conditions for Spiro-Dithiolane Synthesis

Bayesian optimization (BO)-assisted screening was applied to identify improved reaction conditions toward a hundred-gram scale-up synthesis of 2,3,7,8-tetrathiaspiro[4.4]nonane (<b>1</b>), a key synthetic intermediate of 2,2-bis(mercaptomethyl)propane-1,3-dithiol [tetramercaptan pentaery...

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Bibliographic Details
Main Authors:	Masaru Kondo, Hettiarachchige Dona Piyumi Wathsala, Kazunori Ishikawa, Daisuke Yamashita, Takeshi Miyazaki, Yoji Ohno, Hiroaki Sasai, Takashi Washio, Shinobu Takizawa
Format:	Article
Language:	English
Published:	MDPI AG 2023-07-01
Series:	Molecules
Subjects:	Bayesian optimization (BO) Gaussian process regression (GPR) random screening Latin hypercube sampling (LHS) spiro-dithiolane process chemistry
Online Access:	https://www.mdpi.com/1420-3049/28/13/5180

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