Automatized Assessment of Protective Group Reactivity: A Step Toward Big Reaction Data Analysis
Automatized Assessment of Protective Group Reactivity: A Step Toward Big Reaction Data Analysis
Arkadii I. Lin,T. Madzhidov,3 Authors,A. Varnek
2016 · DOI: 10.1021/ACS.JCIM.6B00319
Journal of Chemical Information and Modeling · 41 Citations
TLDR
A new method to assess protective groups (PGs) reactivity as a function of reaction conditions (catalyst, solvent) using raw reaction data is reported, based on an intuitive similarity principle for chemical reactions.