Visualizing and Analyzing the Chemical Space of Natural Product Databases for Drug DiscoveryHaruna Luz Barazorda-Ccahuana 1, K. Eurídice Juárez-Mercado 2, José L. Medina-Franco 2, Miguel Angel Chavez-Fumagalli 1
1Computational Biology and Chemistry Research Group, Vicerrectorado de Investigación, Universidad Católica de Santa María, 2DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Universidad Nacional Autónoma de México
Here, we provide a methodology that uses different molecular representations to display and analyze the chemical space of natural compound data sets, with a focus on applications related to drug discovery.
