#alvaModel
🎥 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
Join our alvaModel 3.0 webinar: From Model Building to Model Understanding. Explore model comparison, validation and applicability domains.

23 Oct | 15:30–16:15 CEST (UTC+2)

Register: events.teams.microsoft.com/event/2de199...

#webinar #QSAR #alvaModel #chemsky
October 21, 2026 at 3:22 PM
New paper using alvaDesc and alvaModel 🧪

A recent QSPR study combined experimental PAMPA measurements with 5,666 descriptors calculated by alvaDesc and models developed with alvaModel to investigate skin permeability and
retention of chalcones.

📄 doi.org/10.17344/acs...

#QSAR #QSPR #chemsky
September 9, 2026 at 12:50 PM
A new Discover Chemistry review surveys machine-learning methods and software for QSAR modelling.

We are pleased to see alvaDesc and alvaModel included among the reviewed tools and our related publications cited.
doi.org/10.1007/s443...

#QSAR #Cheminformatics #alvaDesc #machinelearning
August 17, 2026 at 7:52 AM
🇯🇵 Japanese-language online workshop on August 6!

Join Affinity Science for hands-on training with alvaModel and alvaRunner- from building QSAR/QSPR models to applying them to new molecules.

Details: www.affinity-science.com/news_2026070...

#machinelearning #Cheminformatics #QSAR #chemsky
alvaModel/alvaRunnerオンライン講習会(2026年8月)開催のご案内 | 株式会社アフィニティサイエンス
2026年8月開催のalvaModel/alvaRunner講習会のお知らせ
www.affinity-science.com
July 28, 2026 at 9:31 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
📚 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
📊 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
How to define the applicability domain (AD) in your models?

This video shows how to add and evaluate #AD in #alvaModel, helping ensure reliable predictions.

🎥 Video: youtube.com/watch?v=jnQl...
🔗 More on alvaModel: alvascience.com/alvamodel/

#Alvascience #alvaModel #QSAR #QSPR #chemsky
alvaModel - Applicability Domain
YouTube video by Alvascience
youtube.com
April 17, 2026 at 9:21 AM
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
Molecular Descriptors-Based Analysis for Computation of Polyurethane Melting Temperature - Multiscale Science and Engineering
Multiscale Science and Engineering - Polyurethane (PU) is a highly popular polymer used in several industrial spheres, the thermal and mechanical functioning of which is determined most important...
doi.org
February 19, 2026 at 4:34 PM
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.
January 27, 2026 at 2:32 PM
📊 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
alvaModel - Dataset comparison
YouTube video by Alvascience
www.youtube.com
January 15, 2026 at 3:46 PM
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
December 24, 2025 at 9:28 AM
📢 Webinar announcement by Affinity Science 🇯🇵

Hands-on online Japanese webinar on #alvaBuilder Jan 27, 2026
Discover how to generate new molecules from scratch based on molecular features and structural constraints.

🔗 affinity-science.com/news_2025122...

#DeNovoDesign #MolecularDesign
alvaModel/alvaRunner並びにalvaBuilderオンライン講習会開催のご案内 | 株式会社アフィニティサイエンス
2026年1月に開催するalvaModelオンライン講習会とalvaBuilderオンライン講習会のご案内ニュース
affinity-science.com
December 23, 2025 at 9:11 AM
📢 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
alvaModel/alvaRunner並びにalvaBuilderオンライン講習会開催のご案内 | 株式会社アフィニティサイエンス
2026年1月に開催するalvaModelオンライン講習会とalvaBuilderオンライン講習会のご案内ニュース
affinity-science.com
December 23, 2025 at 9:09 AM
🚀 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
Chiral Chromatography and Artificial Intelligence Integration in Enantiomers Separation
This study presents the future of artificial intelligence and machine learning in chiral chromatography integration.
doi.org
December 18, 2025 at 3:13 PM
🚀 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
alvaModel - Model comparison
YouTube video by Alvascience
youtube.com
December 11, 2025 at 2:08 PM
🚀 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
alvaModel v3.0 - Introduction
YouTube video by Alvascience
youtube.com
November 28, 2025 at 9:44 AM
🎉 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
November 20, 2025 at 2:19 PM