Prioritizing Small Sets of Molecules for Synthesis through in‐silico Tools: A Comparison of Common Ranking Methods
Sign Up to like & getrecommendations! Published in 2022 at "Chemmedchem"
DOI: 10.1002/cmdc.202200425
Abstract: Prioritizing molecules for synthesis is a key role of computational methods within medicinal chemistry. Multiple tools exist for ranking molecules, from the cheap and popular molecular docking methods to more computationally expensive molecular‐dynamics (MD)‐based methods.… read more here.
Keywords: synthesis; molecules synthesis; synthesis silico; sets molecules ... See more keywords
Di- and trioxacyclohexane as structure directing molecules in the synthesis of zeolites omega and ECR-1
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DOI: 10.1016/j.micromeso.2021.111015
Abstract: Abstract Six-membered ring cyclohexane derivatives with 2 oxygen (1,4-dioxane or p-dioxane) and 3 oxygen (1,3,5-trioxane) atoms have been used as organic molecules in the synthesis of zeolites omega (MAZ framework type) and ECR-1 (EON framework… read more here.
Keywords: zeolites omega; omega ecr; synthesis; synthesis zeolites ... See more keywords