A strong example of alvaDesc + interpretable ML accelerating inhibitor discovery.

🔗 alvascience.com/alvadesc/

#Alvascience #alvaDesc #MachineLearning #Corrosion #QSAR #moleculardescriptors #cheminformatics #machinelearning

High-risk pollutants such as TCDD and Chlorpyrifos were consistently identified.

A strong example of descriptor-based, interpretable QSAR supporting ecological risk assessment.

📖 Paper: doi.org/10.1016/j.en...
🔗 alvaDesc: alvascience.com/alvadesc/

#Alvascience #alvaDesc #QSAR

alvaDesc - Alvascience alvaDesc Calculate, Explore, and Export Molecular Descriptors and Fingerprints AlvaDesc is a powerful, user-friendly software for generating high-quality molecular

In a few minutes, see how to:
✔ Load molecules
✔ Generate 3D coordinates
✔ Calculate descriptors & fingerprints
✔ Analyze and export results

🔗 Learn more:
www.alvascience.com/alvadesc/

#Alvascience #alvaDesc #QSAR #Cheminformatics #MolecularDescriptors #chemsky

🎉 Great news for Mac users!

We’re happy to share that all #Alvascience software tools - alvaDesc, alvaModel, alvaBuilder, alvaRunner, and alvaMolecule - are fully compatible with macOS Tahoe.

🔗 Learn more about our tools: alvascience.com

#macOS #Tahoe #software #cheminformatics #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

📚 Full list of citations:
👉 alvascience.com/citations/

#QSAR #Cheminformatics #alvaDesc #Citations #ScientificSoftware #Alvascience #chemsky

Alvascience Tools Now Fully Optimized for Apple Silicon - Alvascience Alvascience Tools Now Fully Optimized for Apple Silicon Apple's M1 processor (Image source: apple.com) With the release of alvaDesc 3.0, all Alvascience tools, including alvaDesc, alvaBuilder, alvaMod...

🚀 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.

🔗 alvascience.com/alvascience-...

#cheminformatics #AppleSilicon #QSAR #QSPR #alvaDesc #Alvascience #chemsky

alvaModel - Import external variables YouTube video by Alvascience

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

alvaDesc - Structural patterns YouTube video by Alvascience

🔬 Learn how to define & calculate structural patterns using SMARTS in #alvaDesc!
✅ Add/test patterns
✅ Handle standardization
✅ Count or flag across datasets

🎥 www.youtube.com/watch?v=bqPL...
📘 www.alvascience.com/alvadesc/

#Cheminformatics #QSAR #SMARTS #Alvascience #chemsky

alvaDesc - Descriptor selection YouTube video by Alvascience

🎥 New video: Learn how to select molecular descriptors in alvaDesc – blocks, sub-blocks, filters, and custom sets for your QSAR/QSPR models.

📺 youtu.be/cTc99jg0RM4
🔗 alvascience.com/alvadesc

#alvaDesc #QSAR #Cheminformatics #MolecularDescriptors #Alvascience #QSPR #chemsky

🐝 Happy #WorldBeeDay from Alvascience!

Our name comes from alvarium (Latin for beehive), and our logo reflects both benzene rings and honeycomb cells - a tribute to nature and chemistry working in harmony.

#Cheminformatics #MolecularDesign #Alvascience #BeeInspired

alvaMolecule - Salts and mixtures YouTube video by Alvascience

🧪 Handle Salts & Mixtures with alvaMolecule

Learn how to detect and clean salts and mixtures in molecular datasets using alvaMolecule — free for academic use!

📺 www.youtube.com/watch?v=hpkO...
🔗 www.alvascience.com/alvamolecule/

#alvaMolecule #QSAR #Cheminformatics #DataCuration #Alvascience

alvaMolecule - Load molecules YouTube video by Alvascience

📺 Watch now: www.youtube.com/watch?v=r0Nf...
🔗 More info: www.alvascience.com/alvamolecule/

#alvaMolecule #Cheminformatics #QSAR #DataCuration #SMILES #MolecularStructures #AcademicSoftware #Alvascience

alvaModel - Model deployment YouTube video by Alvascience

📺 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

📢 Free online seminar (in Japanese) on #alvaDesc for molecular descriptor calculation!

🗓️ May 15, 2025
🎯 For beginners & new users – hands-on format
🔗 Details: affinity-science.com/news_2025041...

#Alvascience #QSAR #Cheminformatics #Webinar #分子記述子 #alvaDesc

Alvascience Webinar: QSAR / QSPR models with Alvascience software YouTube video by 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

Model: Mutagenicity against Salmonella typhimurium - Alvascience Model: Mutagenicity against Salmonella typhimurium In the paper "Krishna, G., Khan, K., & Roy, K. (2020). Application of QSARs in identification of mutagenicity mechanisms of nitro and amino aromatic

🧬 Predict TA98 Mutagenicity with QSAR

Our Ames test-based QSAR model helps identify mutagenic compounds in S. typhimurium TA98.

✅ Built with alvaDesc descriptors
✅ Run in alvaRunner for fast predictions

🔗 www.alvascience.com/model-mutage...

#QSAR #Mutagenicity #AmesTest #Toxicology #Alvascience

alvaModel - Prediction detail YouTube video by Alvascience

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

🧪 Effortless Molecular Data Curation with alvaMolecule

Easily sort, filter, standardize, and visualize molecular data with alvaMolecule’s worksheet-based interface.

📌 Learn more: www.alvascience.com/alvamolecule/

#alvaMolecule #Cheminformatics #QSAR #DataCuration #Alvascience

Model: Daphnia magna - Alvascience Model: Daphnia magna In the papers "Cassotti, M., Ballabio, D., Consonni, V., Mauri, A., Tetko, I. V., & Todeschini, R. (2014). Prediction of Acute Aquatic Toxicity toward

💡 Why use our Daphnia magna QSAR model?
✔ Freely available for non-commercial use
✔ Reliable & validated for regulatory applications
✔ Interpretable with key molecular descriptors
Try it today!
🔗 alvascience.com/model-daphni...

#ComputationalToxicology #Alvascience

🎄✨ Happy Holidays from Alvascience!

Thank you for your support this year! Wishing you joy, warmth, and success in the new year. 🎉

#HappyHolidays #Alvascience #Cheminformatics #NewYear

alvaBuilder - Scaffold decoration YouTube video by Alvascience

🚀 Design New Molecules with alvaBuilder!

Learn how to easily perform scaffold decoration and generate novel molecules with our intuitive software.

🎥 Watch the video: www.youtube.com/watch?v=Duu1...

#alvaBuilder #cheminformatics #scaffolddecoration #moleculardesign #alvascience

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...

Alvascience software suite presentation YouTube video by Alvascience

🌟 Discover the Alvascience Software Suite!

Explore how alvaMolecule, alvaDesc, alvaModel, alvaRunner, and alvaBuilder can boost your cheminformatics, QSAR/QSPR modeling, and de novo design.

📽️ Watch now: www.youtube.com/watch?v=um8s...

#Cheminformatics #QSAR #QSPR #Alvascience #MolecularDesign