Computation-Assisted Identification of Bioactive Compounds in Botanical Extracts: A Case Study of Anti-Inflammatory Natural Products from Hops

• Main Authors: Kevin S. Brown (Author), Paige Jamieson (Author), Wenbin Wu (Author), Ashish Vaswani (Author), Armando Alcazar Magana (Author), Jaewoo Choi (Author), Luce M. Mattio (Author), Paul Ha-Yeon Cheong (Author), Dylan Nelson (Author), Patrick N. Reardon (Author), Cristobal L. Miranda (Author), Claudia S. Maier (Author), Jan F. Stevens (Author)
• Format: Book
• Published: MDPI AG, 2022-07-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

The slow pace of discovery of bioactive natural products can be attributed to the difficulty in rapidly identifying them in complex mixtures such as plant extracts. To overcome these hurdles, we explored the utility of two machine learning techniques, i.e., Elastic Net and Random Forests, for identi...