CSFP - A New Molecular Fingerprint
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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.
Cheminformatics techniques in antimalarial drug discovery and development from natural products 2: Molecular scaffold and machine learning approaches
Matthias Rarey
Graphical example of the principle of the construction of p K a
From a Protein Name to a Druggability Estimation in just 4 Clicks
Molecular Fingerprinting in Forensics: Solving Mysteries. - Nyayags
Combining multi-dimensional molecular fingerprints to predict the hERG cardiotoxicity of compounds - ScienceDirect
From a Protein Name to a Druggability Estimation in just 4 Clicks
Extended Connectivity Fingerprint ECFP
An overlooked parameter in coronary slow flow phenomenon: whole blood viscosity
