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Development of machine learning models based on molecular fingerprints for selection of small molecule inhibitors against JAK2 protein.
Sharath Belenahalli Shekarappa
Shivananda Kandagalla
Julian Lee
Published in:
J. Comput. Chem. (2023)
Keyphrases
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machine learning models
drug discovery
molecular dynamics
molecular structures
spam filtering
protein structure prediction
machine learning approaches
drug design
conditional random fields
learning tasks
predictive model
virtual screening
hiv protease