#ChemDoodle v12.12 includes expanded support for #inorganic compounds & complexes, haptic bonds & multi-center attachments, their use calculations, & perspective ring templates. More inorganic capabilities to come. #molecule #chemistry #cheminformatics ichemlabs.com/news/read?po...

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips #chemsky

Bond Information Content has been proposed in "Topological indices: their nature, mutual relatedness, and applications" doi.org/10.1016/0270...

Check #alvaDesc at: alvascience.com/alvadesc/

JavaScript #RDKit 2026.3.6 is published!

Going forward, we'll publish a new release automatically. rdkitjs.com still needs to be transferred; until then, you can use rdkit.github.io/rdkit-js/.

If things break, please let me know by opening an issue.

#chemsky #compchemsky #Cheminformatics

A most excellent molecule with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #cheminformatics #chemsky 🧪
enaminestore.com/catalog/EN30...

Can molecular descriptors complement graph neural networks?

A new BCF study combines transfer-learned graph representations with selected #alvaDesc descriptors and AutoGluon.
A nice example of multimodal molecular modeling doi.org/10.1016/j.jw...

#QSAR #Cheminformatics #alvaDesc #chemsky

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips #chemsky

Structural Information Content has been proposed in "Topological indices: their nature, mutual relatedness, and applications" doi.org/10.1016/0270...

Check #alvaDesc at: alvascience.com/alvadesc/

✏️ Coming soon: alvaSketcher

Our new lightweight, cross-platform 2D molecular editor for creating and editing chemical structures, designed for cheminformatics, QSAR/QSPR and molecular design workflows.
More details coming soon!

#alvaSketcher #Cheminformatics #QSAR #chemsky

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips #chemsky

Neighbourhood Total Information Content has been proposed in "Topological indices: their nature, mutual relatedness, and applications" doi.org/10.1016/0270...

Check #alvaDesc at: alvascience.com/alvadesc/

Have you wondered how many #cheminformatics papers you missed this week?

With Chem(o)info Radar, this question won’t bother you anymore!

Check it: tagirshin.com/radar/

#Chemoinformatics #ComputationalChemistry #DrugDiscovery #AIinChemistry #CompChem

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips #chemsky

Neighbourhood Information Content has been proposed in "Topological indices: their nature, mutual relatedness, and applications" doi.org/10.1016/0270...

Check #alvaDesc at: alvascience.com/alvadesc/

Opportunity for industrial placement student in computational chemistry at AstraZeneca (Cambridge UK) ref: R-257921 | start: 06-Sep-2027 | closing: 02-Oct-2026 #CompChem #cheminformatics #CADD #DrugDesign #DrugDiscovery #chemsky 🧪
careers.astrazeneca.com/job/cambridg...