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
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 offers cheminformatics consulting, QSAR modelling and custom scientific software development.
Tell us about your project: alvascience.com/services/
#software #QSAR #cheminformatics #chemsky
Alvascience offers cheminformatics consulting, QSAR modelling and custom scientific software development.
Tell us about your project: alvascience.com/services/
#software #QSAR #cheminformatics #chemsky
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
🧪 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
🧪 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
Learn more about alvaDesc:
alvascience.com/alvadesc/
#QSAR #QSPR #Cheminformatics #MolecularDescriptors
#alvaDesc #alvatips #chemsky
Learn more about alvaDesc:
alvascience.com/alvadesc/
#QSAR #QSPR #Cheminformatics #MolecularDescriptors
#alvaDesc #alvatips #chemsky
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
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
From descriptor calculation to model building, validation and prediction, a great introduction to practical QSAR modeling.
affinity-science.com/news_2026070...
#workshop #chemsky
From descriptor calculation to model building, validation and prediction, a great introduction to practical QSAR modeling.
affinity-science.com/news_2026070...
#workshop #chemsky
🎥 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
🎥 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: alvascience.com/alvamodel/
🔗 alvaRunner: alvascience.com/alvarunner/
#Alvascience #QSAR #QSPR #Cheminformatics #ExplainableAI #alvaRunner
🔗 alvaModel: alvascience.com/alvamodel/
🔗 alvaRunner: alvascience.com/alvarunner/
#Alvascience #QSAR #QSPR #Cheminformatics #ExplainableAI #alvaRunner
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
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
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
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
More on alvaDesc: alvascience.com/alvadesc/
#Alvascience #alvaDesc #QSAR #MachineLearning #DrugDiscovery #Cheminformatics #chemsky
More on alvaDesc: alvascience.com/alvadesc/
#Alvascience #alvaDesc #QSAR #MachineLearning #DrugDiscovery #Cheminformatics #chemsky
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...
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...
🔗 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
🔗 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
We are proud to see alvaMolecule, alvaDesc, alvaModel, alvaRunner and alvaBuilder supporting research across cheminformatics, QSAR/QSPR modeling, toxicology, drug discovery, materials science.
We are proud to see alvaMolecule, alvaDesc, alvaModel, alvaRunner and alvaBuilder supporting research across cheminformatics, QSAR/QSPR modeling, toxicology, drug discovery, materials science.
🔹 #alvaDesc
🔹 #alvaModel / #alvaRunner
🔹 #alvaBuilder
Participation is free.
Details & registration ↓
www.affinity-science.com/news_2026043...
#Alvascience #Cheminformatics #QSAR #MolecularModeling #DrugDiscovery #InSilico #chemsky
🔹 #alvaDesc
🔹 #alvaModel / #alvaRunner
🔹 #alvaBuilder
Participation is free.
Details & registration ↓
www.affinity-science.com/news_2026043...
#Alvascience #Cheminformatics #QSAR #MolecularModeling #DrugDiscovery #InSilico #chemsky
#WorldBeeDay #QSAR #Cheminformatics #InSilico #HoneyBees #EnvironmentalSafety #MachineLearning #Alvascience #chemsky
#WorldBeeDay #QSAR #Cheminformatics #InSilico #HoneyBees #EnvironmentalSafety #MachineLearning #Alvascience #chemsky
www.alvascience.com/alva/qsar/
#alvaQSAR #Alvascience #QSAR #InSilico #ComputationalToxicology #OECD
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
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
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
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
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
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
has surpassed 100 citations on Google Scholar and ResearchGate.
Thanks to the community for the continued interest.
#QSAR #chemsky
has surpassed 100 citations on Google Scholar and ResearchGate.
Thanks to the community for the continued interest.
#QSAR #chemsky