alvaDescAlvascience
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alvaModelAlvascience
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Related Products
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About
alvaDesc is a cheminformatics software for the calculation and analysis of molecular descriptors, fingerprints, and structural patterns for QSAR, QSPR, read-across, and machine learning applications. It computes more than 5,000 molecular descriptors (0D–3D), including constitutional, topological, geometrical, electronic, physicochemical, and fragment-based descriptors.
The software also generates molecular fingerprints and structural pattern counts for similarity analysis, clustering, and classification. Integrated tools support descriptor filtering and correlation analysis for robust and reproducible modeling.
alvaDesc integrates seamlessly with KNIME and Python, enabling efficient connection to external data analysis and machine learning workflows. It is widely used in academic and industrial research and supported by extensive documentation and scientific publications.
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About
alvaModel is a software tool for building, validating, comparing, and applying QSAR and QSPR models. It supports regression and classification workflows based on molecular descriptors and fingerprints, with a strong focus on model transparency, interpretability, and scientific robustness.
The software includes multiple data splitting strategies, variable selection methods, modeling algorithms, and comprehensive internal and external validation procedures. alvaModel provides diagnostic plots, applicability domain analysis, and model comparison tools to support the identification of reliable and predictive models.
Designed according to best practices in chemometrics, alvaModel facilitates the development of interpretable models consistent with the OECD principles for QSAR validation, making it suitable for research and regulatory-oriented applications. The graphical interface guides users through the entire modeling workflow while allowing full control over each modeling step.
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Platforms Supported
Windows
Supported
Mac
Supported
Linux
Supported
Cloud
Not Supported
On-Premises
Not Supported
iPhone
Not Supported
iPad
Not Supported
Android
Not Supported
Chromebook
Not Supported
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Platforms Supported
Windows
Supported
Mac
Supported
Linux
Supported
Cloud
Not Supported
On-Premises
Not Supported
iPhone
Not Supported
iPad
Not Supported
Android
Not Supported
Chromebook
Not Supported
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Audience
Medicinal chemists, computational chemists, cheminformaticians, and data scientists working on QSAR/QSPR, molecular modeling, and chemical data analysis in academia and industry.
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Audience
Toxicologists, regulatory scientists, risk assessors, environmental chemists, and QSAR/QSPR modelers working in chemical safety assessment, regulatory compliance (e.g. REACH, OECD), environmental risk evaluation, and academic or governmental research.
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Support
Phone Support
Not Supported
24/7 Live Support
Not Supported
Online
Supported
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Support
Phone Support
Not Supported
24/7 Live Support
Not Supported
Online
Supported
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API
Offers API
Not Supported
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API
Offers API
Not Supported
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Screenshots and Videos |
Screenshots and Videos |
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Pricing
No information available.
Free Version
Not Supported
Free Trial
Supported
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Pricing
No information available.
Free Version
Not Supported
Free Trial
Supported
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Reviews/
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Reviews/
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Training
Documentation
Supported
Webinars
Supported
Live Online
Not Supported
In Person
Not Supported
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Training
Documentation
Supported
Webinars
Supported
Live Online
Not Supported
In Person
Not Supported
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Company InformationAlvascience
Founded: 2018
Italy
www.alvascience.com
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Company InformationAlvascience
Founded: 2018
Italy
www.alvascience.com
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Categories |
Categories |
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Integrations
alvaBuilder
Supported
KNIME Analytics Platform
Supported
Python
Supported
alvaDesc
Not Supported
alvaModel
Supported
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Integrations
alvaBuilder
Supported
KNIME Analytics Platform
Not Supported
Python
Not Supported
alvaDesc
Supported
alvaModel
Not Supported
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