📄 Quick Reference Sheet for #alvaSketcher

Whether you're a new user or just need a quick reminder, our one-page Quick Reference Sheet summarizes the essential tools and shortcuts for drawing and editing molecular structures in alvaSketcher.

#Cheminformatics #MolecularEditor #alvatips #chemsky

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

Second Mohar index has been proposed in "A novel definition of the Wiener index for trees" doi.org/10.1021/ci00... via @pubs.acs.org

Check #alvaDesc at: alvascience.com/alvadesc/

Exploring Conformers of Small Rings: Small Experiments and Observations #RDKit #cheminformatics #memo

Last week, I attended the 2026 RDKit UGM in person. It was really nice to meet other participants and have lots of discussions with them. All the oral presentations and poster presentations were…

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

First Mohar index has been proposed in "A novel definition of the Wiener index for trees" via @pubs.acs.org doi.org/10.1021/ci00...

Check #alvaDesc at: alvascience.com/alvadesc/

Cheminformatic Data Apps (#Streamlit Tools) from DTC Laboratory, Jadavpur University

sites.google.com/jadavpuruniv...

* LipIC-O-Pred

* BitPepPred-RA

* Soil Sorption Estimator (SSE)

* FL_AOP36_predictor

* OralAbsPredict

* RDTox

#Cheminformatics #Predictions #DataApp #Predictions #DTCLab

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

New Paper Published from DTC Laboratory, Jadavpur University: @pubs.acs.org !

Environ. Sci. Technol. (2026) (Impact Factor 12.2)

doi.org/10.1021/acs....

#Persistence #Bioaccumulation #SoilSorption #QSPR #RASPR #Cheminformatics #Chemometrics #MachineLearning #PredictiveTool

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

Quasi-Wiener index has been proposed in "A novel definition of the Wiener index for trees" via
@pubs.acs.org doi.org/10.1021/ci00...

Check #alvaDesc at: alvascience.com/alvadesc/

Opportunity for Biological Curator - Chemical Biology Resources at European Bioinformatics Institute (Hinxton Cambridgeshire UK) ref: JR4399 | contract: 3 years (renewable to 9 years max) | closing: 05-Oct-2026 #ChemBiol #cheminformatics #chemsky 🧪
embl.wd103.myworkdayjobs.com/en-US/EMBL/d...

📄 Nature Communications (2024) "Developing a machine learning model for accurate nucleoside hydrogels prediction based on descriptors" doi.org/10.1038/s414...

#alvaDesc #Cheminformatics #MachineLearning

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

Complementary 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/

#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