free cheminformatics web tools for medicinal chemists

Craig plot 2.0 an interactive navigation in the property space of over 6000 organic substituents.
Described in J. Cheminformatics 12:8 (2020)
Calculation of Hammett sigma constants and Hansch hydropbobicity substituent parameters.
Described in 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.
Described in ChemRxiv 13525457 (2021)
Magic Rings interactive navigation in the chemical and target space of 40,000 rings extracted from 1 billion molecules.
Described in J. Cheminf. Model. 62, 2164 (2022)
Ring replacement recommender. A web tool suggesting ring replacements that have a significant chance of improved biological activity.
Described in Eur. J. Med. Chem. 238, 114483 (2022)
Molecule Cloud - interactive generation of molecular images in the form of Molecule Cloud. Several visualization options are available.
Described in J. Cheminformatics 4:12 (2012)
Boronic acid navigator Interactive navigation in the chemical space of boronic acids.
Described in Bioorg. & Med. Chem. 117405 (2023)

More to come, watch this space!

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