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.

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

Launching Digital Natural Sciences in Hamburg

PDF) Introducing a Chemically Intuitive Core-Substituent Fingerprint Designed to Explore Structural Requirements for Effective Similarity Searching and Machine Learning

Peptide mass fingerprinting - Wikipedia

Matthias Rarey

Development of Natural Compound Molecular Fingerprint (NC-MFP

Connected Subgraph Fingerprints: Representing Molecules Using Exhaustive Subgraph Enumeration.,Journal of Chemical Information and Modeling - X-MOL

Molecules, Free Full-Text

kansas_foodborne_illness_manual

Stefan Bietz received the CIC-Award for Computational Chemistry

CSFP - A New Molecular Fingerprint

ECFP6 Fingerprints in Python - Part 3 - Phyo Phyo Kyaw Zin

A Telescope for Chemical Space: SpaceProp2 is out

Unraveling the Ring Puzzle - An Open-Source Solution

Galileo: Three-dimensional searching in large combinatorial