4.6 (225) · $ 5.00 · In stock
Molecular fingerprints represent molecules by bit strings and belong to the most frequently used, most central methods of cheminformatics. They form the backbone for fast access to molecules in databases, machine learning with molecules and many tools based on topological molecular similarity.
Figure 1 from Fuzzy Tricentric Pharmacophore Fingerprints, 1. Topological Fuzzy Pharmacophore Triplets and Adapted Molecular Similarity Scoring Schemes
Exploring the Geometries of Molecular Interactions
Molecular Modelers Should Know Their Electron Density
Molecules, Free Full-Text
Scaffold diversity of exemplified medicinal chemistry space. - Abstract - Europe PMC
Matthias Rarey
Object Detection Video
Comparing entire crystal structures: structural genetic fingerprinting - CrystEngComm (RSC Publishing) DOI:10.1039/B704177B
GitHub - LPDI-EPFL/masif: MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
A Telescope for Chemical Space: SpaceProp2 is out
Development of Natural Compound Molecular Fingerprint (NC-MFP
Galileo: Three-dimensional searching in large combinatorial