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Peer-Reviewed Publication
J Cheminform2023;15(1):107.November 10, 2023Journal Article

Exploring the known chemical space of the plant kingdom: insights into taxonomic patterns, knowledge gaps, and bioactive regions.

Daniel Domingo-Fernández1, Yojana Gadiya2, Sarah Mubeen2, David Healey2, Bryan H Norman2, Viswa Colluru2
1Enveda Biosciences, Boulder, CO, USA. daniel.domingo-fernandez@envedabio.com.
2Enveda Biosciences, Boulder, CO, USA.

Abstract

Plants are one of the primary sources of natural products for drug development. However, despite centuries of research, only a limited region of the phytochemical space has been studied. To understand the scope of what is explored versus unexplored in the phytochemical space, we begin by reconstructing the known chemical space of the plant kingdom, mapping the distribution of secondary metabolites…

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