We are glad to share that the application note "AlvaBuilder: A Software for De Novo Molecular Design" via @JCIM_JCTC is now open access. #alvabuilder #Researchpaper #drugdiscovery #drugdesign #machinelearning #cheminformatics #OpenAccess #compchem

🎥 Export Models as alvaRunner Projects Learn how to export models from #alvaModel for seamless use in #alvaRunner and streamline QSAR predictions. 📺 Watch now: 📖 More about alvaModel: #QSAR #Cheminformatics #MachineLearning

AlvaMolecule has been used in "In silico identification of Nipah virus protein inhibitors from secondary metabolites of medicinal plants using a high-throughput.." Check alvaMolecule at: #datacuration #chemicaldata #cheminformatics

AlvaDesc has been used in "Suspect, Nontarget Screening, and Toxicity Prediction of Per- and Polyfluoroalkyl Substances in the Landfill Leachate" via @EnvSciTech Check alvaDesc at: #qsar #machinelearning #cheminformatics #pfas

AlvaDesc has been used in "Perturbation-theory machine learning for mood disorders: virtual design of dual inhibitors of NET and SERT proteins" @MiroslavaNedya1 Check alvaDesc at: #qsar #machinelearning #cheminformatics

AlvaDesc has been used in "Machine learning-based q-RASAR approach for the in silico identification of novel multi-target inhibitors against Alzheimer’s disease" Check alvaDesc at: #qsar #machinelearning #cheminformatics

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Kupchik vertex degree has been proposed in "Structure — Molar Refraction Relationships of Alkylgermanes Using Molecular Connectivity" Check #alvaDesc at:

🎉 Alvascience Annual User Meetup 🎉 📅 Feb 7, 2025 | ⏰ 3:00–6:00 PM IST 🔗 Register: Click “Buy now for FREE” & “Sign up” if needed Learn about the QSAR workflow withà alvaMolecule, #alvaDesc, #alvaModel, #alvaRunner, & #alvaBuilder. #QSAR #workshop

Alvascience tools have been used in "Development of Quantitative Structure–Anti-Inflammatory Relationships of Alkaloids" Check Alvascience tools at: #moleculardescriptors #qsar #machinelearning #cheminformatics #alkaloids

🐟 Predict Fathead Minnow Acute Toxicity with QSAR Our LC50 QSAR model offers a reliable, data-driven approach for toxicity prediction, supporting environmental risk assessment and regulatory compliance. 🔗 Learn more: #QSAR #ToxicityPrediction

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Second Zagreb Index has been proposed in "Graph theory and molecular orbitals. XII. Acyclic polyenes" via @JChemPhys Check #alvaDesc at:

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips Valence vertex degree has been proposed in "Derivation and Significance of Valence Molecular Connectivity" Check #alvaDesc at:

🎥 QSAR/QSPR Modeling Webinar Learn the key steps in QSAR/QSPR modeling, from data curation model deployment using alvaDesc, alvaModel, and alvaRunner. 📺 Watch now: #QSAR #QSPR #Cheminformatics #MachineLearning #alvaDesc #alvaModel #alvaRunner

AlvaDesc has been used in "The application of chemical similarity measures in an unconventional modeling framework..." via @SciReports Check alvaDesc at: #moleculardescriptors #qsar #machinelearning #cheminformatics

AlvaDesc has been used in "First report on regression-based QSAR addressing pesticide dissipation half-life in plants: A step towards sustainable public health" via @STOTEN_journal Check alvaDesc at: #pesticides #qsar

🌱 Predict BCF with QSAR Modeling [FREE] Check the BCF QSAR model, developed under OECD principles, providing a reliable approach for assessing bioconcentation in regulatory and environmental studies. 📖 Learn more: #QSAR #BCF #Cheminformatics #OECD

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips First Zagreb Index has been proposed in "Graph theory and molecular orbitals. Total φ-electron energy of alternant hydrocarbons" Check #alvaDesc at:

AlvaDesc has been used in "First report on QSAR modelling for chemical penetration enhancement ratio (ER) of different FDA-approved drugs in Poloxamer 407: A next step towards better skin permeability of drugs" Check alvaDesc at:

🌟 Predict Biomagnification with the BMF Model 🌟 The BMF model estimates biomagnification potential using validated QSAR approaches, aiding in chemical safety and environmental research. 🔗 Learn more: #QSAR #BMF #Cheminformatics #Bioaccumulation

AlvaDesc has been used in "Chemical feature-based machine learning model for predicting photophysical properties of BODIPY compounds..." Check alvaDesc at: #moleculardescriptors #qsar #machinelearning #BODIPY #compchem

AlvaDesc has been used in "Hybrid Machine Learning and Experimental Studies of Antiviral Potential of Ionic Liquids against P100, MS2, and Phi6" via @JCIM_JCTC Check alvaDesc at: #qsar #machinelearning #cheminformatics #oecd