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Last Updated: 19/10/2023
Development of computational tools based on machine learning for the discovery of new drug candidates for malaria
Objectives
*Original title in Portuguese: Desenvolvimento de ferramentas computacionais baseadas em aprendizado de máquina para a descoberta de novos candidatos a fármacos para a malária
This research project is divided into two fronts:
- Development of algorithms, models and computational tools for predicting new promising compounds capable of inhibiting multiple protein targets in P. falciparum strains.
- Construction of a web platform to help and streamline the process of creating a database of microscopic images that will be made available to the scientific community.
Principal Institution
Principal Investigators / Focal Persons
Rationale and Abstract
For the first front, the project will use machine learning, virtual screening and molecular docking for training computational models based on multiple known protein-ligand complexes and subsequent prediction and experimental validation of new drug candidates from the constructed models.
External reference
Thematic Categories
Date
Oct 2020
Funding Details
Coordination for the Improvement of Higher Education Personnel (CAPES), Brazil
Grant number: 614234
Project Site
Related Resources
