Machine learning prediction of hydrogen atom transfer reactivity in photoredox-mediated C–H functionalization

2021 ◽  
Author(s):  
Li-Cheng Yang ◽  
Xin Li ◽  
Shuo-Qing Zhang ◽  
Xin Hong
Keyword(s):  
Machine Learning ◽  
Hydrogen Atom ◽  
Learning Model ◽  
Structure Activity Relationship ◽  
Hydrogen Atom Transfer ◽  
Activity Relationship ◽  
Atom Transfer ◽  
Physical Organic ◽  
Structure Activity ◽  
Machine Learning Model

DFT-computed structure–activity relationship data and physical organic descriptors create accurate machine learning model for HAT barrier prediction in photoredox-mediated HAT catalysis.

Structure-activity relationship of (-) mammea A/BB derivatives against Leishmania amazonensis

Planta Medica ◽  
2008 ◽  
Vol 74 (09) ◽  
Author(s):  
MA Brenzan ◽  
CV Nakamura ◽  
BPD Filho ◽  
T Ueda-Nakamura ◽  
MCM Young ◽  
...  
Keyword(s):  
Structure Activity Relationship ◽  
Leishmania Amazonensis ◽  
Activity Relationship ◽  
Structure Activity ◽  
Relationship Of
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