🚀 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.

🧪 A QSAR prediction is only half the story.

Is the molecule inside the model’s Applicability Domain?

Predictions within the AD are generally more reliable.

Prediction + Applicability Domain = Better decisions.

www.alvascience.com/alva/qsar/

#QSAR #Cheminformatics #alvaQSAR #chemsky

Inside alvaQSAR #3: A value or a class?

Regression predicts a numerical value; binary classification predicts one of two classes.

Check the units or class definitions to understand your result.

www.alvascience.com/alva/qsar/

#QSAR #alvatips #chemsky

📹 New video!

Discover the basics of alvaQSAR: draw molecules, run QSAR predictions, evaluate Applicability Domain and export results.

🎥 youtube.com/watch?v=C_IC...
Learn more: alvascience.com/alva/qsar/

#QSAR #Cheminformatics #ComputationalToxicology #alvaQSAR #Alvascience #chemsky

🧪 Evaluate chemicals before testing?

Discover how QSAR models support:
🌱 Biodegradability
🐟 Bioaccumulation
☣ Aquatic Toxicity
⚠ Human Health

Follow the new #alvaQSAR series.

#QSAR #Cheminformatics #ComputationalToxicology #alvatips #chemsky

Try it now:
www.alvascience.com/alva/qsar/

#alvaQSAR #Alvascience #QSAR #InSilico #ComputationalToxicology #OECD

alvaQSAR 1.2 is here - a FREE web-based QSAR platform for rapid in silico prediction of environmental and toxicological endpoints.

✔ 9 OECD-aligned models
✔ Applicability Domain & QMRF support
✔ Prediction reports & interpretation charts
✔ Designed to support alternatives to animal testing

QSAR model for fathead minnow LC50 (96h) now available in alvaQSAR 🐟
Based on Cassotti et al. (2015), similarity-based kNN, OECD REACH 9.1.3.

✅ alvaQSAR is free
📘 Includes documentation & report
🔗 alvascience.com/alva/qsar

#alvaQSAR #toxicity #OECD #REACH #QSAR #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

Models:
🔹 Accuracy up to 0.87 on external test sets
🔹 Built-in Applicability Domain
🔹 Fully documented & free to use

Try it now: alvascience.com/alva/qsar/
More on alvaDesc: alvascience.com/alvadesc/

#alvaQSAR #QSAR #Cheminformatics #Biodegradability #REACH #InSilico #alvaDesc

🌱 Predict Ready Biodegradability with alvaQSAR

alvaQSAR includes validated QSAR models to predict whether a chemical is Readily Biodegradable according to #OECD & #REACH.
Built from 1,722 compounds, the models use kNN, PLS-DA, SVM + a consensus classifier for robust predictions

#ECHA #alvaQSAR

✅ Performance: R²=0.65 (training), Q²=0.65 (CV), R²=0.72 (test)
📈 Built-in AD ensures reliable predictions within defined chemical space.
Available free in alvaQSAR, with full documentation and automatic QPRF reports.

🔗 alvascience.com/alva/qsar/

#alvaDesc #EnvironmentalScience #OECD #REACH

🐟 Predicting bioaccumulation with #alvaQSAR

The Bioconcentration Factor (BCF) #QSAR model predicts the log(BCF) of chemicals in aquatic organisms, a key step in assessing bioaccumulation and environmental risk under OECD REACH.

🔗 alvascience.com/alva/qsar/

#Cheminformatics #chemsky

Accessible in alvaQSAR, a free web platform offering predictive models for human health and environmental endpoints, each with detailed scientific documentation.

Try it out at: alvascience.com/alva/qsar/

#alvaQSAR #QSAR #Cheminformatics #Ecotoxicology #InSilico #ToxicityPrediction

🦐 Predicting aquatic toxicity with the Daphnia magna QSAR models in alvaQSAR.

The Daphnia magna LC₅₀ (48 h) models provide a quantitative structure–activity relationship (QSAR) approach to predict acute aquatic toxicity according to OECD REACH Code 9.1.1.

Try it out at: alvascience.com/alva/qsar/

🐟 Predict Fish Biomagnification Factor (BMF) with #alvaQSAR – free, OECD-compliant, easy to use.

✅ kNN, OLS & Consensus models
✅ Applicability Domain
✅ QPRF (PDF) downloadable

Try it 👉 www.alvascience.com/alva/qsar/

#QSAR #PBT #Cheminformatics #Bioaccumulation #alvaDesc #toxicity #chemsky

🚀 Big news: 1,000+ predictions made with alvaQSAR!
From molecules to models, our journey is just getting started.

💚 Thanks to our community for making every prediction count!

🔗 alvascience.com/alva/qsar/

#QSAR #DrugDiscovery #Cheminformatics #alvaQSAR

📢 See alvaQSAR in action.

Our partner Affinity Science has just published a hands-on review (in Japanese) of alvaQSAR.

🔗 Read the article: www.affinity-science.org/2025/07/alva...
🌐 More on #alvaQSAR: www.alvascience.com/alva/qsar/

#QSAR #Cheminformatics #Toxicology #PredictiveModeling

🔗 Try it out: www.alvascience.com/alva/qsar/

#QSAR #cheminformatics #computationaltoxicology #alvaQSAR #alvaDesc #moleculardescriptors #chemicalsafety #chemsky