New study using #alvaDesc & #alvaModel to predict polyurethane melting temperature (Tm) via #QSPR
5,600+ descriptors tested; PLS delivered the best performance, supporting fast, cost-effective polymer design.
📖 doi.org/10.1007/s424...
🔗 alvascience.com/alvadesc/
#Polymers #cheminformatics #chemsky
Biomimetic LC×LC + Permeapad® combined with QSAR modeling to study transdermal drug diffusion 🧪
Neri et al. integrate experimental skin-mimicking chromatography with #alvaDesc and #alvaModel to predict log Kp in a high-throughput, animal-free way.
📊 Dataset comparison in alvaModel
A short video showing how to compare training/test datasets using box plots and stacked bars to spot distribution shifts and class imbalance, before building QSAR/QSPR models.
🎥 www.youtube.com/watch?v=EMSt...
#QSAR #QSPR #Cheminformatics #alvaModel #chemsky
Happy holidays from all of us at Alvascience!
Thank you for your continued support throughout the year, we look forward to new ideas, collaborations, and discoveries in the next year.
#alvaMolecule #alvaDesc #alvaModel #alvaRunner #alvaBuilder #alvaQSAR #chemsky
📢 Webinar announcement in Japanese by Affinity Science 🇯🇵
Join the online hands-on webinar on #alvaModel on Jan 20, 2026
Learn how alvaModel automatically builds regression & classification models from molecular features.
🔗 Details:
affinity-science.com/news_2025122...
#QSAR #Cheminformatics
🚀 New review highlights how #AI & #ML are transforming chiral chromatography, from retention-time prediction to automated method optimization.
Great to see #alvaDesc and #alvaModel cited among the tools enabling these workflows.
Paper: doi.org/10.1002/chir...
Alvascience: www.alvascience.com
🚀 New video: Model comparison in #alvaModel
See how you can compare and rank your models with alvaModel plots, making it easy to select the best models for your datasets.
🎥 Video: youtube.com/watch?v=UAgD...
🔗 More on alvaModel: alvascience.com/alvamodel/
#QSAR #Cheminformatics #chemsky
🚀 New video! Quick intro to alvaModel 3.0 - our tool for building and validating QSAR/QSPR models with an intuitive workflow and OECD compliance.
▶️ youtube.com/watch?v=5TVc...
More info: alvascience.com/alvamodel/
#QSAR #QSPR #Cheminformatics #alvaModel #chemsky
🇯🇵 Webinar: What’s New in alvaModel 3.0
Our Japanese reseller AffinityScience is hosting a webinar on Dec 16 (Tue) to introduce the new features of alvaModel 3.0.
🔗 Details (JP): affinity-science.com/news_2025111...
#alvaModel #QSAR #Cheminformatics #MachineLearning #Alvascience #chemsky #webinar
🎥 Introduction video: youtu.be/5TVcpxTdQAY
🔗 More info at: alvascience.com/alvamodel
#QSAR #Cheminformatics #DrugDiscovery #alvaModel #AI4Science #QSPR #MachineLearning
New QSPR study in J. Mol. Graphics & Modelling by Ouaissa et al. (2026) used #alvaDesc and #alvaModel to predict logP of psychoanaleptic drugs.
📄 doi.org/10.1016/j.jm...
🔗 alvascience.com
#Cheminformatics #MachineLearning #QSPR #DrugDiscovery
Interested in QSAR/QSPR modeling?
Check out this short video introducing alvaModel, a tool for building and validating predictive models in cheminformatics.
🎥 www.youtube.com/watch?v=U0J2...
🔗 www.alvascience.com/alvamodel/
#QSAR #QSPR #Cheminformatics #alvaModel #MachineLearning #chemsky
Learn how to import external variables and define your target in alvaModel for QSAR/QSPR modeling.
📽️ youtube.com/watch?v=Nb-8...
📘 More on alvaModel: alvascience.com/alvamodel/
#QSAR #QSPR #Cheminformatics #alvaModel #alvascience #chemsky #machinelearning
📺 Watch the video: youtube.com/watch?v=UJoJ...
📖 Learn more about alvaModel: alvascience.com/alvamodel/
📂 Explore example projects: alvascience.com/model-studies/
#alvaModel #alvaRunner #QSAR #QSPR #PredictiveModeling #ModelDeployment #Cheminformatics #Alvascience
🎥 Missed our QSAR/QSPR Webinar?
Watch the full Alvascience workflow in action - from data curation to model deployment using alvaMolecule, alvaDesc, alvaModel & alvaRunner.
📺 www.youtube.com/watch?v=zHA9...
#QSAR #QSPR #Cheminformatics #Alvascience #Webinar #alvaModel #alvaDesc #alvaMolecule
Analyze QSAR Predictions in alvaModel
Break down predictions with experimental vs. predicted values, applicability domain, atomic & fragment contributions, and KNN neighbors.
📺 Watch: youtube.com/watch?v=Sz6M...
#alvaModel #QSAR #Cheminformatics #PredictiveModeling #Alvascience
🎥 Validate QSAR Models with Y-Randomization
Ensure your QSAR model isn’t capturing random correlations! Learn how to run a Y-Randomization test in alvaModel to assess model reliability.
📺 Watch: www.youtube.com/watch?v=jrmk...
#alvaModel #QSAR #ModelValidation #Cheminformatics
🎥 Export Models as alvaRunner Projects
Learn how to export models from #alvaModel for seamless use in #alvaRunner and streamline QSAR predictions.
📺 Watch now: www.youtube.com/watch?v=UJoJ...
📖 More about alvaModel: alvascience.com/alvamodel/
#QSAR #Cheminformatics #MachineLearning
🎉 Alvascience Annual User Meetup 🎉
📅 Feb 7, 2025 | ⏰ 3:00–6:00 PM IST
🔗 Register: bit.ly/427xUtv (Click “Buy now for FREE” & “Sign up” if needed.)
Learn about the QSAR workflow with #alvaMolecule, #alvaDesc, #alvaModel, #alvaRunner, & #alvaBuilder.
#QSAR #Cheminformatics #machinelearning
🎥 QSAR/QSPR Modeling Webinar
Learn the key steps in QSAR/QSPR modeling, from data curation model deployment using alvaDesc, alvaModel, and alvaRunner.
📺 Watch now: www.youtube.com/watch?v=zHA9...
#QSAR #QSPR #Cheminformatics #MachineLearning #alvaDesc #alvaModel #alvaRunner
🎥 Evaluate Predictions with alvaModel
Learn to analyze QSAR predictions, assess applicability domains, and explore molecular contributions in our latest video
📺 Watch: www.youtube.com/watch?v=Sz6M...
More: alvascience.com/alvamodel/
#alvaModel #QSAR #PredictionAnalysis #Cheminformatics
🔗 Explore now: www.alvascience.com/tutorial-bui...
#cheminformatics #QSAR #alvaModel #machinelearning #AqueousSolubility #LogS #moleculardescriptors
On Tuesday, December 17th, our partner
@AffinityScience
will host a hands-on #webinar introducing the basics of #alvaModel and #alvaRunner, #Alvascience software for #QSAR and #QSPR model building, validation and deployment.
For details, click here ↓
affinity-science.com/news_2024111...
🎥 Perform Y-Randomization with alvaModel
Learn how to run this key model validation test step-by-step in our video.
📺 Watch now: www.youtube.com/watch?v=jrmk...
#alvaModel #cheminformatics #yrandomization #QSAR #modelvalidation
Alvascience tools have been used in "Machine learning approach for predicting high JSC donor molecules in fullerene-typed organic solar cells" doi.org/10.1016/j.cp...
Check Alvascience tools at: www.alvascience.com
#alvadesc #alvamodel #alvabuilder #solarcells
