bellvei.cat

CSFP - A New Molecular Fingerprint

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