CSFP - A New Molecular Fingerprint

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.

Molecular Modelers Should Know Their Electron Density

Squeezed Me? Berry Nearly.

(PDF) Statistical-based database fingerprint: chemical space

Factor analysis of error in oxidation potential calculation: A

Database fingerprint (DFP): an approach to represent molecular databases, Journal of Cheminformatics

Squeezed Me? Berry Nearly.

Development of Natural Compound Molecular Fingerprint (NC-MFP) with the Dictionary of Natural Products (DNP) for natural product-based drug development, Journal of Cheminformatics

May-June, 2022 Vol, 28 No. 3 - Flip eBook Pages 1-50

SpaceLight - New Similarity Searching for the Chemical Space Era

SpaceLight: A Spotlight on the Analog Hunter for Chemical Spaces • BioSolveIT

PDF) Identification of Lignin and Polysaccharide Modifications in Populus Wood by Chemometric Analysis of 2D NMR Spectra from Dissolved Cell Walls