Investigations into the Efficiency of Computer-Aided Synthesis Planning
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DOI: 10.1021/acs.jcim.4c01821
Abstract: The efficiency of machine learning (ML) models is crucial to minimize inference times and reduce the carbon footprints of models deployed in production environments. Current models employed in retrosynthesis to generate a synthesis route from… read more here.
Keywords: synthesis planning; step; single step; synthesis ... See more keywords
Inorganic Materials Synthesis Planning with Literature-Trained Neural Networks
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.9b00995
Abstract: Leveraging new data sources is a key step in accelerating the pace of materials design and discovery. To complement the strides in synthesis planning driven by historical, experimental, and computed data, we present an automated,… read more here.
Keywords: synthesis planning; inorganic materials; planning literature; materials synthesis ... See more keywords