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PharmaCore: The Automatic Generation of 3D Structure-Based Pharmacophore Models from Protein/Ligand Complexes.
Simona De Vita
Ester Colarusso
Maria Giovanna Chini
Giuseppe Bifulco
Gianluigi Lauro
Published in:
J. Chem. Inf. Model. (2024)
Keyphrases
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drug discovery
drug design
statistical models
data mining
bayesian networks
model selection
hidden variables
contact map
molecular structures
protein functional