Predicting experimental electrophilicities from quantum and topological descriptors: A machine learning approach
Author:
Affiliation:
1. Normandy Univ., COBRA UMR 6014 & FR 3038, Université de Rouen, INSA Rouen, CNRS Mont St Aignan France
2. Normandie Univ., UNIROUEN, UNIHAVRE, INSA Rouen, LITIS Rouen France
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26376
Reference101 articles.
1. Principles of an Electronic Theory of Organic Reactions.
2. Experimental determination and calculations of redox potential descriptors of compounds directed against retroviral zinc fingers: Implications for rational drug design
3. Hydrogen bonding as a probe of electron densities: limiting gas-phase nucleophilicities and electrophilicities of B and HX
4. Quantitative Correlation of Relative Rates. Comparison of Hydroxide Ion with Other Nucleophilic Reagents toward Alkyl Halides, Esters, Epoxides and Acyl Halides1
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