Cheminformatics for accelerated design of chemical admixtures
Sign Up to like & getrecommendations! Published in 2020 at "Cement and Concrete Research"
DOI: 10.1016/j.cemconres.2020.106173
Abstract: Abstract Alternative binders require next-generation chemical admixtures, but discovery of such compounds is typically achieved through extensive iterative testing that does not ensure optimal solutions. Here, the use of cheminformatics, a data-driven approach used extensively… read more here.
Keywords: design chemical; accelerated design; chemical; chemical admixtures ... See more keywords
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.2c01377
Abstract: Direct-acting antivirals for the treatment of the COVID-19 pandemic caused by the SARS-CoV-2 virus are needed to complement vaccination efforts. Given the ongoing emergence of new variants, automated experimentation, and active learning based fast workflows… read more here.
Keywords: targeted covalent; covalent inhibitors; design targeted; accelerated design ... See more keywords