🚀 We’re pleased to introduce alvaQSAR, a new free web platform for predicting chemical properties using QSAR models. alvaQSAR simplifies the process from structure input to report generation, no installation needed.

🔍 Identify core scaffolds in your molecular dataset with #alvaMolecule’s Scaffold Analysis tool. Quickly visualize, filter, and explore frameworks across your compounds. ℹ️ More: ▶️ Watch: #cheminformatics #scaffold.

New paper by Paixão et al. identifies potential SmTGR inhibitors against schistosomiasis using docking, ADMET, and QSAR. Molecular descriptors were computed with #alvaDesc. 🧪 🔗 #DrugDiscovery #Cheminformatics #QSAR

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips. Mean information content on the distance equality has been proposed in "On topological characterization of molecular branching" . Check #alvaDesc at:

Hosni et al. used alvaDesc to develop ML models predicting Yield Sooting Index (YSI) of hydrocarbons, with uncertainty estimation. A QSPR approach applied to combustion chemistry. More on alvaDesc: #QSPR #Combustion #SootingIndex

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips. Mean information index on atomic composition has been proposed in "Essays on the Use of Information Theory in Biology". Ed. University of Illinois, Urbana. Check #alvaDesc at:

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips. Total information content on the distance equality has been proposed in "On topological characterization of molecular branching" . Check #alvaDesc at:

New study in Pharmaceuticals (2025) by Bueso-Bordils et al. explores topological models derived from pharmacokinetic equations to support antibacterial drug discovery. Glad to see alvaMolecule used for dataset curation!. 📄 🔗

🔗 Try it out: . #QSAR #cheminformatics #computationaltoxicology #alvaQSAR #alvaDesc #moleculardescriptors #chemicalsafety

Powered by alvaDesc molecular descriptors, it currently supports prediction of:. 🔹 Biomagnification Factor.🔹 Bioconcentration Factor.🔹 Ready Biodegradability.🔹 Daphnia magna LC₅₀.🔹 Fathead minnow LC₅₀. More endpoints will be added soon.

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips. Total information index on atomic composition has been proposed in "Essays on the Use of Information Theory in Biology". Ed. University of Illinois, Urbana. Check #alvaDesc at:

🔬 New paper in Molecular Diversity by Biswas et al. presents a multilayered approach for identifying novel leishmanicidal agents using 2-aminobenzimidazole scaffolds. 🧪 alvaDesc was used to calculate #moleculardescriptors for #QSAR modeling.📖

🚀 All Alvascience tools are fully optimized for Apple Silicon (M1/M2/M3)!. Enjoy faster performance on macOS for molecular descriptors, QSAR/QSPR modeling, and more. 🔗 #cheminformatics #AppleSilicon #QSAR #QSPR #alvaDesc #Alvascience

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips. Information index on molecular size has been proposed in Bertz, S. H. The First General Index of Molecular Complexity. via @J_A_C_S . Check #alvaDesc at:

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips. Kupchik connectivity index is based on Kupchik vertex degree. Check #alvaDesc at:

🧪 New paper by Liu et al. shows how farthest point sampling in a chemical feature space (built with alvaDesc) boosts ML on small datasets. 📈 Smarter sampling = better predictions. Read: More on #alvaDesc: #QSAR #Cheminformatics

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips. Reciprocal distance sum inverse Randić-like index has been proposed in "Design of topological indices. Part 4. Reciprocal distance. " . Check #alvaDesc at:

AlvaDesc and alvaModel have been used in "Evaluation of the lipophilicity of morpholino propiophenones by reversed-phase thin-layer chromatography and computational methods" Check Alvascience tools at: . #cheminformatics

🚀 alvaDesc 3.0 is here!. The next-gen tool for calculating molecular descriptors, fingerprints & structural patterns. 🔗 Learn more: 📽️ Watch the intro video: #cheminformatics #QSAR #molecularmodeling #moleculardescriptors.

Learn how to import external variables and define your target in alvaModel for QSAR/QSPR modeling. 📘 More on alvaModel: 📽️ #QSAR #QSPR #Cheminformatics #alvaModel #alvascience.