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Chemical space as a unifying theme for chemistry

Jean‐Louis Reymond

2025Journal of Cheminformatics20 citationsDOIOpen Access PDF

Abstract

Chemistry has diversified from a basic understanding of the elements to studying millions of highly diverse molecules and materials, which together are conceptualized as the chemical space. A map of this chemical space where distances represent similarities between compounds can represent the mutual relationships between different subfields of chemistry and help the discipline to be viewed and understood globally.

Topics & Concepts

Computer scienceChemical spaceTheme (computing)Space (punctuation)Data scienceChemistryWorld Wide WebDrug discoveryBiochemistryOperating systemComputational Drug Discovery MethodsVarious Chemistry Research TopicsHistory and advancements in chemistry
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