free cheminformatics web tools for medicinal chemists
Craig plot 2.0
an interactive navigation in the property space of over 6000 organic substituents.
J. Cheminformatics 12:8 (2020)
Hammett sigma constants
and Hansch hydropbobicity substituent parameters.
Chemistry-Methods 2, e202200041 (2022)
The web tool for
identification of bioisosteric scaffolds
by Scaffold Keys. The hits may be colored by their preferences for various target classes or by their synthetic availability.
ChemRxiv 13525457 (2021)
interactive navigation in the chemical and target space of 40,000 rings extracted from 1 billion molecules.
J. Cheminf. Model. 62, 2164 (2022)
Ring replacement recommender.
A web tool suggesting ring replacements that have a significant chance of improved biological activity.
Eur. J. Med. Chem. 238, 114483 (2022)
- interactive generation of molecular images in the form of Molecule Cloud. Several visualization options are available.
J. Cheminformatics 4:12 (2012)
Boronic acid navigator
Interactive navigation in the chemical space of boronic acids.
Bioorg. & Med. Chem. 117405 (2023)
More to come, watch this space!
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