Boronic Acid Navigator web tool https://t.co/VgRYBQkWkJ allows navigation in the property and structural space of boronic acids. Theory available in Bioorg. Med. Chem. https://t.co/XdjRN5Clwe #cheminformatics #medchem #compchem

Our @JMedChem TPSA paper https://t.co/la0xzIUHrX reached 3000 citations today! Something not expected at the time of writing. Advice to young scientists: make your papers useful, open and release all data (and you will still need a little bit of luck😀) #cheminformatics #medchem

Our classic SAscore https://t.co/zKT6N4mbwD is performing quite well in a recent comparison of 4 synthetic accessibility measures https://t.co/Y481nokir5 #cheminformatics

At the #RDKitUGM2022 somebody asked about the JSME query features. They may be enabled by the "query" key in the editor options. And any SMARTS may be entered using the X atom, anyway. See also the JSME docu at GitHub https://t.co/4d7D1VgLhw

A Web Tool for Calculating Substituent Descriptors Compatible with Hammett Sigma Constants - you can now calculate Hammett sigmas for any organic substituent and many inorganic ones - web tool https://t.co/lNuYZ3NtTU theory here https://t.co/JGJCjuSsbs #cheminformatics #medchem

The traditional social highlight of the #2022iccs #cheminformatics conference is the sailing in the IJsselmeer and Markermeer. The participants have to help with hoisting the sails.

Ring Replacement Recommender web tool is available at https://t.co/8vv5ZvC7mD. It allows identification of activity improving bioisosteric ring replacements. The theory is described in our paper in Eur. J. Med. Chem. https://t.co/v4GBF3rUT6. #cheminformatics #compchem #medchem

"Substituents of life: The most common substituent patterns present in natural products" was published in Bioorg. Med. Chem. https://t.co/KAtBZdLimB The free preprint is available in ChemRxiv https://t.co/ZbomB17tlz #cheminformatics

Magic Rings - interactive navigation in the chemical and target space of 40,000 rings extracted from 1 billion molecules: https://t.co/Kn6Uepcc1H Theory and data available in @JCIM_ACS https://t.co/cdh67U3jkK #cheminformatics #compchem #medchem

"A Web Tool for Calculating Substituent Descriptors Compatible with Hammett Sigma Constants" is available at @ChemRxiv https://t.co/SKgAwD80N6 The web tool itself is here: https://t.co/Pf8h1Ctwz1 #cheminformatics #QSAR #compchem #medchem

The web tool for identification of bioisosteric scaffolds https://t.co/RUtm9Dfld4 has been enhanced by the possibility to color hits by their preferences for various target classes. The full description is available at https://t.co/H4o3JmXUFx #cheminformatics #medchem #compchem

The popular JSME molecule editor in #JavaScript is now available on GitHub https://t.co/V4TNcp6gc9 If you are using an older JSME, update to the latest version 2020.12. See there also a JSME Hall of Fame with links to many cool #cheminformatics tools using JSME.

A web tool to identify bioisosteric scaffold analogs using Scaffold Keys is available https://t.co/riR97IpALY Feedback appreciated! #cheminformatics #medchem

Our paper "The Most Common Functional Groups in Bioactive Molecules and How Their Popularity Has Evolved over Time" is now available in @JMedChem. https://t.co/lhTn7pLFgV #cheminformatics

"Identification of Bioisosteric Substituents by a Deep Neural Network" appeared in JCINF #cheminformatics https://t.co/y6cnOUhH0i

"Artificial intelligence in chemistry and drug design" - our editorial introducing a special issue of Journal of Computer-Aided Molecular Design about #AI #ML #cheminformatics

Cheminformatics Analysis of Natural Product Scaffolds: Comparison of Scaffolds Produced by Animals, Plants, Fungi and Bacteria appeared in Molecular Informatics. https://t.co/rYjyxV8Q0t, free preprint available here https://t.co/QDtrSFKFNp #cheminformatics

"Craig plot 2.0: an interactive navigation in the substituent bioisosteric space" appeared in J. Cheminformatics https://t.co/KDDNAJ401v you can play with the web tool here: https://t.co/DCXlJYJunZ

Craig plot 2.0 #cheminformatics https://t.co/joOlXx7s98

Which are the 10 most popular chemicals on Wikipedia? Maybe not surprisingly (?), alkaloids and controversial drugs are among them (17k pages in total). Examined using @WolframResearch #Mathematica (V12), Wiki Chem. Struct. Expl. (great project!) + @ChemDraw @peter_ertl @targos89