Abstract
Current study results on Machine Learning have been published. According to news originating from Ivanovo, Russia, by NewsRx correspondents, research stated, "The utilization of machine learning techniques for investigating chemical reactions is both sought after and challenging. While there are now many high-quality paid and free tools available for planning retrosynthesis, predicting the yield of different reaction types has received less attention, even though it is a crucial parameter for improving the synthesis process." Financial support for this research came from Ministry of Science and Higher Education of the Russian Federation. Our news journalists obtained a quote from the research from the Russian Academy of Sciences, "This article aims to contribute to the application of machine learning in forecasting the yield of pyrrole and dipyrromethane condensation reactions with aldehydes. To achieve this, we trained a random forest model with an extended connectivity fingerprint on over 1200 such reactions, resulting in an MAE of 9.6 % and R2 of 0.63."
NETL
NSTL
Elsevier