QSAR model for fathead minnow LC50 (96h) now available in alvaQSAR ๐
Based on Cassotti et al. (2015), similarity-based kNN, OECD REACH 9.1.3.
โ
alvaQSAR is free
๐ Includes documentation & report
๐ 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:
๐น Accuracy up to 0.87 on external test sets
๐น Built-in Applicability Domain
๐น 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
๐ฑ 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
๐ 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.
๐ 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
๐ Predict Fish Biomagnification Factor (BMF) with #alvaQSAR โ free, OECD-compliant, easy to use.
โ
kNN, OLS & Consensus models
โ
Applicability Domain
โ
QPRF (PDF) downloadable
Try it ๐ www.alvascience.com/alva/qsar/
#QSAR #PBT #Cheminformatics #Bioaccumulation #alvaDesc #toxicity #chemsky
๐ Big news: 1,000+ predictions made with alvaQSAR!
From molecules to models, our journey is just getting started.
๐ Thanks to our community for making every prediction count!
๐ alvascience.com/alva/qsar/
#QSAR #DrugDiscovery #Cheminformatics #alvaQSAR
๐ข See alvaQSAR in action.
Our partner Affinity Science has just published a hands-on review (in Japanese) of alvaQSAR.
๐ Read the article: www.affinity-science.org/2025/07/alva...
๐ More on #alvaQSAR: www.alvascience.com/alva/qsar/
#QSAR #Cheminformatics #Toxicology #PredictiveModeling
๐ Try it out: www.alvascience.com/alva/qsar/
#QSAR #cheminformatics #computationaltoxicology #alvaQSAR #alvaDesc #moleculardescriptors #chemicalsafety #chemsky