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Image Search Results
a " width="100%" height="100%">
Journal: ACS Omega
Article Title: DataPype: A Fully Automated Unified Software Platform for Computer-Aided Drug Design
doi: 10.1021/acsomega.3c05207
Figure Lengend Snippet: Benchmarking and Optimization of the Ligand Preparation Methodology Based on Benchmarking Metrics (AUC and EF1%) Calculation and Time (Minutes) Required to Complete Ligand Preparation and Docking (Using FRED)
Article Snippet: Our analysis showed that the default parameters used for the
Techniques:
a " width="100%" height="100%">
Journal: ACS Omega
Article Title: DataPype: A Fully Automated Unified Software Platform for Computer-Aided Drug Design
doi: 10.1021/acsomega.3c05207
Figure Lengend Snippet: Benchmarking of the Ligand Preparation Methods by RDKit and OpenBabel in Comparison to the OpenEye Methods Based on Benchmarking Metrics (AUC and EF1%) Calculation and Time (min) Required to Complete Ligand Preparation and Docking (Using FRED)
Article Snippet: Our analysis showed that the default parameters used for the
Techniques: Comparison