TY  - GEN
AU  - Briand,Eliane
AU  - Thomsen,Ragnar
AU  - Linnet,Kristian
AU  - Rasmussen,Henrik Berg
AU  - Brunak,Søren
AU  - Taboureau,Olivier
TI  - Combined Ensemble Docking and Machine Learning in Identification of Therapeutic Agents with Potential Inhibitory Effect on Human CES1
SN  - 1420-3049
PY  - 2019///1230
KW  - Carboxylic Ester Hydrolases
KW  - antagonists & inhibitors
KW  - Drug Discovery
KW  - Enzyme Activation
KW  - drug effects
KW  - Humans
KW  - Machine Learning
KW  - Molecular Docking Simulation
KW  - Molecular Dynamics Simulation
KW  - Protease Inhibitors
KW  - chemistry
KW  - Quantitative Structure-Activity Relationship
KW  - ROC Curve
KW  - Reproducibility of Results
KW  - Small Molecule Libraries
N1  - Publication Type: Journal Article
UR  - https://doi.org/10.3390/molecules24152747
ER  -