A new semi-automated workflow for QSAR modelling and ligand-based virtual screening: a case study with alkaloids against Candida glabrata

Vol 9, 2023 - 166033
Poster
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Abstract

Use of open source software to implement a semi-automated workflow, following good practises for QSAR modelling, with the aim of finding natural alkaloids potentially active against the fungus Candida glabrata.

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Institutions
  • 1 Universidade Federal de Sergipe
  • 2 Federal University of Sergipe
Track
  • 2. Biological and Pharmacological Activity of Natural Products
Keywords
Natural products; antifungals; Open Source; Machine Learning