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.

Molecules, Free Full-Text

Molecules, Free Full-Text

Matthias Rarey

Scaffold diversity of exemplified medicinal chemistry space. - Abstract - Europe PMC

From a Protein Name to a Druggability Estimation in just 4 Clicks

HYDROCARBON OR BRINE RESERVOIR? CAN MACHINE LEARNING HELP EXPLORATION GEOSCIENTISTS?

Stefan Bietz received the CIC-Award for Computational Chemistry

open-source-ecfpfcfp-circular-fingerprints-in-cdk

The Concept of Partial Shape Similarity

Galileo: Three-dimensional searching in large combinatorial

CSFP - A New Molecular Fingerprint

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