A database of steric and electronic properties of heteroaryl substituents

Abstract Heteroaryl substituents are important building blocks of functionalized organic compounds in drug discovery, materials science, and catalysis. Quantitative descriptions of steric and electronic properties of heteroaryl substituents are essential in establishing structure-activity relationsh...

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Bibliographic Details
Main Authors: Turki M. Alturaifi, Grace E. Scofield, Shengchun Wang, Peng Liu
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Data
Online Access:https://doi.org/10.1038/s41597-025-05198-z
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