A machine learning approach for predicting the fluorination strength of electrophilic fluorinating reagents-Reference-Cited by-同舟云学术

A machine learning approach for predicting the fluorination strength of electrophilic fluorinating reagents

Published:2022 Issue:43 Volume:24 Page:26802-26812
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Saini Vaneet¹^ORCID

Affiliation:

1. Department of Chemistry & Centre for Advanced Studies in Chemistry, Panjab University, Chandigarh 160014, India

Abstract

A neural network algorithm utilizing SMILES encoding of organic molecules was successfully employed for predicting the fluorination strength of a wide range of N–F fluorinating reagents.

Funder

Department of Science and Technology, Ministry of Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP03281C

Reference53 articles.

1. Fluorine in Pharmaceutical Industry: Fluorine-Containing Drugs Introduced to the Market in the Last Decade (2001–2011)

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