Molecular Models
Molecular Geometry and Dipole Moments
Predicting Molecular Geometry
Molecules with Multiple Chiral Centers
Molecular Orbital Theory I
Molecular Shapes
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Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
Published on: September 26, 2025
Adrien Rougny1, Marek Ostaszewski1, Venkata Sagatopam1
1Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, Esch-sur-Alzette, Luxembourg.
A new Python library, momapy, enables programmatic analysis and comparison of molecular maps. This tool facilitates the extraction of biological concepts from graphical representations, enhancing data analysis and modeling capabilities.
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