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deep learning

Deep Learning-driven research for drug discovery: Tackling Malaria

February 24, 2020 - 13:50 -- Open Access
Neves BJ, Braga RC, Alves VM, Lima MNN, Cassiano GC, Muratov EN, Costa FTM, Andrade CH
PLoS Comput Biol 16(2): e1007025

Malaria is an infectious disease that affects over 216 million people worldwide, killing over 445,000 patients annually. Due to the constant emergence of parasitic resistance to the current antimalarial drugs, the discovery of new drug candidates is a major global health priority. Aiming to make the drug discovery processes faster and less expensive, we developed binary and continuous Quantitative Structure-Activity Relationships (QSAR) models implementing deep learning for predicting antiplasmodial activity and cytotoxicity of untested compounds.

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