#Alvascience
🎥 Missed our alvaModel webinar?

Watch the recording to explore QSAR/QSPR model development, validation and comparison through a graphical interface.

▶️ youtube.com/watch?v=Tg5D...

#webinar #alvaModel #QSAR #Cheminformatics #chemsky
Alvascience Webinar: From Model Building to Model Understanding: What's New in alvaModel 3.0
YouTube video by Alvascience
youtube.com
November 4, 2026 at 9:54 AM
Chemical data, a modelling question or a workflow to improve?

Alvascience offers cheminformatics consulting, QSAR modelling and custom scientific software development.

Tell us about your project: alvascience.com/services/

#software #QSAR #cheminformatics #chemsky
October 8, 2026 at 3:29 PM
🔬 Research using Alvascience

Li et al. used alvaDesc via its Python wrapper to calculate 5,666 molecular descriptors and build ML models for nucleoside hydrogel prediction.

The model was then applied to >7,000 candidates, followed by experimental validation.

#alvaDesc #Python #chemsky
Developing a machine learning model for accurate nucleoside hydrogels prediction based on descriptors - Nature Communications
Supramolecular nucleoside-based hydrogels have potential in biomedical applications, but there is no model to predict what nucleoside derivatives will form hydrogels. Here, the authors report a machin...
doi.org
September 16, 2026 at 4:44 PM
From QSAR modeling to screening 276k+ natural products.

🧪 A new Molecules study used Alvascience tools to develop and validate a QSAR model and apply it to the LOTUS natural-product database before docking and MD analyses via
@molecules-mdpi.bsky.social

📄 doi.org/10.3390/mole...

#QSAR #chemsky
September 1, 2026 at 2:01 PM
Alvascience Tools Now Fully Optimized for Apple Silicon macinchem.org/2025/01/15/a... #cheminformatics
Alvascience Tools Now Fully Optimized for Apple Silicon – Macs in Chemistry
macinchem.org
January 15, 2025 at 2:59 PM
Both provide complementary information for QSAR/QSPR modeling.

Learn more about alvaDesc:
alvascience.com/alvadesc/

#QSAR #QSPR #Cheminformatics #MolecularDescriptors
#alvaDesc #alvatips #chemsky
alvaDesc - Alvascience
alvaDesc Calculate, Explore, and Export Molecular Descriptors and Fingerprints AlvaDesc is a powerful, user-friendly software for generating high-quality molecular
alvascience.com
July 21, 2026 at 8:38 AM
📹 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
alvaQSAR – Ready-to-use QSAR models for chemical assessment
YouTube video by Alvascience
youtube.com
July 14, 2026 at 10:27 AM
Thanks to our partner AffinityScience for organizing a workshop on the complete QSAR workflow using Alvascience tools.

From descriptor calculation to model building, validation and prediction, a great introduction to practical QSAR modeling.

affinity-science.com/news_2026070...

#workshop #chemsky
July 14, 2026 at 8:31 AM
Need to share your QSAR models?

🎥 youtube.com/watch?v=UJoJ...

This video shows how to export your models as #alvaRunner projects, making them easy to share and apply to new molecules.

Learn more:
🔗 alvascience.com/alvamodel/

Example alvaRunner projects:
🔗 alvascience.com/model-studies/

#chemsky
alvaModel - Model deployment
YouTube video by Alvascience
youtube.com
July 13, 2026 at 3:25 PM
Prediction Detail is also available in alvaRunner.

🔗 alvaModel: alvascience.com/alvamodel/
🔗 alvaRunner: alvascience.com/alvarunner/

#Alvascience #QSAR #QSPR #Cheminformatics #ExplainableAI #alvaRunner
June 16, 2026 at 12:29 PM
Prediction Detail go beyond the predicted value.

With alvaModel, you can visualize atomic and fragment contributions and, for KNN models, inspect the nearest neighbour compounds used for the prediction.

🎥 Watch the video:
www.youtube.com/watch?v=Sz6M...

#alvaModel #machinelearning #chemsky
alvaModel - Prediction detail
YouTube video by Alvascience
www.youtube.com
June 16, 2026 at 12:29 PM
How do you check if your #QSAR/#QSPR model captures real relationships and not chance correlations?

Learn how to perform a Y-Randomization (Y-Scrambling) test in alvaModel with our short video tutorial.

🎥 youtube.com/watch?v=jrmk...
🔗 alvascience.com/alvamodel/

#MachineLearning #chemsky
alvaModel Y-Randomization
YouTube video by Alvascience
youtube.com
June 12, 2026 at 9:01 AM
Antcamphin-G emerged as a promising computational lead with strong predicted ERBB2 binding.

More on alvaDesc: alvascience.com/alvadesc/

#Alvascience #alvaDesc #QSAR #MachineLearning #DrugDiscovery #Cheminformatics #chemsky
alvaDesc - Alvascience
alvaDesc Calculate, Explore, and Export Molecular Descriptors and Fingerprints AlvaDesc is a powerful, user-friendly software for generating high-quality molecular
alvascience.com
June 4, 2026 at 3:44 PM
Join the @zastrain.bsky.social webinar on integrated QSAR and cheminformatics workflows using Alvascience tools.

From molecular curation and 5,000+ descriptors with alvaDesc to QSAR modelling, deployment, and de novo design.

📅 May 29, 2026 | 3 PM IST
🔗 events.teams.microsoft.com/event/4915de...
May 26, 2026 at 7:51 AM
A partial list of publications citing Alvascience tools is available here:
🔗 alvascience.com/citations/

Thank you to all researchers, collaborators, and users who continue to trust our software in their scientific work.

#Cheminformatics #QSAR #QSPR #DrugDiscovery #MachineLearning #chemsky
Citations - Alvascience
Citations This page provides a list of scientific publications that cite Alvascience's software solutions. Year: 2019 · 2020 · 2021 · 2022 · 2023 · 2024 · 2025 ·
alvascience.com
May 22, 2026 at 12:41 PM
📚 Alvascience tools have now been cited in more than 700 scientific publications!

We are proud to see alvaMolecule, alvaDesc, alvaModel, alvaRunner and alvaBuilder supporting research across cheminformatics, QSAR/QSPR modeling, toxicology, drug discovery, materials science.
May 22, 2026 at 12:41 PM
📢 Free Webinar — Introduction to the Alvascience Software Suite Join our Japanese reseller @AffinityScience on Tuesday, June 2 for a webinar introducing the Alvascience software suite, including live demonstrations of our tools.
May 21, 2026 at 2:01 PM
These studies show how cheminformatics and AI-driven modeling can contribute to more sustainable and science-based environmental risk assessment.

#WorldBeeDay #QSAR #Cheminformatics #InSilico #HoneyBees #EnvironmentalSafety #MachineLearning #Alvascience #chemsky
May 20, 2026 at 2:41 PM
📊 How to analyse a model using charts in alvaModel

Learn how to use Williams plots, residual charts, and other visual tools in alvaModel to better evaluate #QSAR and #QSPR models.

🎥 Watch now: youtube.com/watch?v=xRKK...
🌐 More on #alvaModel: alvascience.com/alvamodel/

#MachineLearning #chemsky
alvaModel - Charts
YouTube video by Alvascience
youtube.com
May 18, 2026 at 12:36 PM
🧪 Screen Before You Synthesize
Automate toxicity screening to identify hazardous compounds before synthesis.

Explore Alvascience tools for descriptors, QSAR modeling and predictive workflows:
🔹 alvaMolecule
🔹 alvaDesc
🔹 alvaModel
🔹 alvaRunner

More info at: alvascience.com

#QSAR #GreenChemistry
May 13, 2026 at 1:09 PM
🎥 Want to improve your KNN models?

Choosing the right number of neighbors (k) is critical for model performance, too small can overfit, too large can reduce accuracy.

youtube.com/watch?v=h4Do...

#MachineLearning #KNN #QSAR #QSPR #alvaModel #Alvascience #chemsky
alvaModel - Optimize K
YouTube video by Alvascience
youtube.com
May 4, 2026 at 8:39 AM
Our paper "Alvascience: A New Software Suite for the QSAR Workflow Applied to BBB Permeability" doi.org/10.3390/ijms... via Molecules @mdpiopenaccess.bsky.social

has surpassed 100 citations on Google Scholar and ResearchGate.

Thanks to the community for the continued interest.

#QSAR #chemsky
April 24, 2026 at 3:29 PM