🚀 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.

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.

RT @ML_Chem: Prediction of Dielectric Constant in Series of Polymers by Quantitative Structure-Property Relationship (QSPR) #machinelearnin….