Latest posts tagged with #alvascience on Bluesky
A strong example of alvaDesc + interpretable ML accelerating inhibitor discovery.
π alvascience.com/alvadesc/
#Alvascience #alvaDesc #MachineLearning #Corrosion #QSAR #moleculardescriptors #cheminformatics #machinelearning
High-risk pollutants such as TCDD and Chlorpyrifos were consistently identified.
A strong example of descriptor-based, interpretable QSAR supporting ecological risk assessment.
π Paper: doi.org/10.1016/j.en...
π alvaDesc: alvascience.com/alvadesc/
#Alvascience #alvaDesc #QSAR
In a few minutes, see how to:
β Load molecules
β Generate 3D coordinates
β Calculate descriptors & fingerprints
β Analyze and export results
π Learn more:
www.alvascience.com/alvadesc/
#Alvascience #alvaDesc #QSAR #Cheminformatics #MolecularDescriptors #chemsky
π Great news for Mac users!
Weβre happy to share that all #Alvascience software tools - alvaDesc, alvaModel, alvaBuilder, alvaRunner, and alvaMolecule - are fully compatible with macOS Tahoe.
π Learn more about our tools: alvascience.com
#macOS #Tahoe #software #cheminformatics #chemsky
π―π΅ Webinar: Whatβs New in alvaModel 3.0
Our Japanese reseller AffinityScience is hosting a webinar on Dec 16 (Tue) to introduce the new features of alvaModel 3.0.
π Details (JP): affinity-science.com/news_2025111...
#alvaModel #QSAR #Cheminformatics #MachineLearning #Alvascience #chemsky #webinar
π Full list of citations:
π alvascience.com/citations/
#QSAR #Cheminformatics #alvaDesc #Citations #ScientificSoftware #Alvascience #chemsky
π All Alvascience tools are fully optimized for Apple Silicon (M1/M2/M3)!
Enjoy faster performance on macOS for molecular descriptors, QSAR/QSPR modeling, and more.
π alvascience.com/alvascience-...
#cheminformatics #AppleSilicon #QSAR #QSPR #alvaDesc #Alvascience #chemsky
Learn how to import external variables and define your target in alvaModel for QSAR/QSPR modeling.
π½οΈ youtube.com/watch?v=Nb-8...
π More on alvaModel: alvascience.com/alvamodel/
#QSAR #QSPR #Cheminformatics #alvaModel #alvascience #chemsky #machinelearning
π¬ Learn how to define & calculate structural patterns using SMARTS in #alvaDesc!
β
Add/test patterns
β
Handle standardization
β
Count or flag across datasets
π₯ www.youtube.com/watch?v=bqPL...
π www.alvascience.com/alvadesc/
#Cheminformatics #QSAR #SMARTS #Alvascience #chemsky
π₯ New video: Learn how to select molecular descriptors in alvaDesc β blocks, sub-blocks, filters, and custom sets for your QSAR/QSPR models.
πΊ youtu.be/cTc99jg0RM4
π alvascience.com/alvadesc
#alvaDesc #QSAR #Cheminformatics #MolecularDescriptors #Alvascience #QSPR #chemsky
π Happy #WorldBeeDay from Alvascience!
Our name comes from alvarium (Latin for beehive), and our logo reflects both benzene rings and honeycomb cells - a tribute to nature and chemistry working in harmony.
#Cheminformatics #MolecularDesign #Alvascience #BeeInspired
π§ͺ Handle Salts & Mixtures with alvaMolecule
Learn how to detect and clean salts and mixtures in molecular datasets using alvaMolecule β free for academic use!
πΊ www.youtube.com/watch?v=hpkO...
π www.alvascience.com/alvamolecule/
#alvaMolecule #QSAR #Cheminformatics #DataCuration #Alvascience
πΊ Watch now: www.youtube.com/watch?v=r0Nf...
π More info: www.alvascience.com/alvamolecule/
#alvaMolecule #Cheminformatics #QSAR #DataCuration #SMILES #MolecularStructures #AcademicSoftware #Alvascience
πΊ Watch the video: youtube.com/watch?v=UJoJ...
π Learn more about alvaModel: alvascience.com/alvamodel/
π Explore example projects: alvascience.com/model-studies/
#alvaModel #alvaRunner #QSAR #QSPR #PredictiveModeling #ModelDeployment #Cheminformatics #Alvascience
π’ Free online seminar (in Japanese) on #alvaDesc for molecular descriptor calculation!
ποΈ May 15, 2025
π― For beginners & new users β hands-on format
π Details: affinity-science.com/news_2025041...
#Alvascience #QSAR #Cheminformatics #Webinar #εεθ¨θΏ°ε #alvaDesc
π₯ Missed our QSAR/QSPR Webinar?
Watch the full Alvascience workflow in action - from data curation to model deployment using alvaMolecule, alvaDesc, alvaModel & alvaRunner.
πΊ www.youtube.com/watch?v=zHA9...
#QSAR #QSPR #Cheminformatics #Alvascience #Webinar #alvaModel #alvaDesc #alvaMolecule
𧬠Predict TA98 Mutagenicity with QSAR
Our Ames test-based QSAR model helps identify mutagenic compounds in S. typhimurium TA98.
β
Built with alvaDesc descriptors
β
Run in alvaRunner for fast predictions
π www.alvascience.com/model-mutage...
#QSAR #Mutagenicity #AmesTest #Toxicology #Alvascience
Analyze QSAR Predictions in alvaModel
Break down predictions with experimental vs. predicted values, applicability domain, atomic & fragment contributions, and KNN neighbors.
πΊ Watch: youtube.com/watch?v=Sz6M...
#alvaModel #QSAR #Cheminformatics #PredictiveModeling #Alvascience
π§ͺ Effortless Molecular Data Curation with alvaMolecule
Easily sort, filter, standardize, and visualize molecular data with alvaMoleculeβs worksheet-based interface.
π Learn more: www.alvascience.com/alvamolecule/
#alvaMolecule #Cheminformatics #QSAR #DataCuration #Alvascience
π‘ Why use our Daphnia magna QSAR model?
β Freely available for non-commercial use
β Reliable & validated for regulatory applications
β Interpretable with key molecular descriptors
Try it today!
π alvascience.com/model-daphni...
#ComputationalToxicology #Alvascience
πβ¨ Happy Holidays from Alvascience!
Thank you for your support this year! Wishing you joy, warmth, and success in the new year. π
#HappyHolidays #Alvascience #Cheminformatics #NewYear
π Design New Molecules with alvaBuilder!
Learn how to easily perform scaffold decoration and generate novel molecules with our intuitive software.
π₯ Watch the video: www.youtube.com/watch?v=Duu1...
#alvaBuilder #cheminformatics #scaffolddecoration #moleculardesign #alvascience
On Tuesday, December 17th, our partner
@AffinityScience
will host a hands-on #webinar introducing the basics of #alvaModel and #alvaRunner, #Alvascience software for #QSAR and #QSPR model building, validation and deployment.
For details, click here β
affinity-science.com/news_2024111...
π Discover the Alvascience Software Suite!
Explore how alvaMolecule, alvaDesc, alvaModel, alvaRunner, and alvaBuilder can boost your cheminformatics, QSAR/QSPR modeling, and de novo design.
π½οΈ Watch now: www.youtube.com/watch?v=um8s...
#Cheminformatics #QSAR #QSPR #Alvascience #MolecularDesign
