LiveDesignSchrödinger
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alvaDescAlvascience
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Related Products
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About
LiveDesign is an enterprise informatics platform that enables teams to rapidly advance drug discovery projects by collaborating, designing, experimenting, analyzing, tracking, and reporting in a centralized platform. Capture ideas alongside experimental and modeling data. Create and store new virtual compounds in a centralized database, evaluate through advanced models, and prioritize new designs. Integrate biological data and model results across federated corporate databases, apply sophisticated cheminformatics to analyze all data at once, and progress compounds faster. Drive predictions and designs using advanced physics-based methods paired with machine learning techniques to rapidly improve prediction accuracy. Work together with remote team members in real-time. Share ideas, test, revise, and advance chemical series without losing track of your work.
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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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Platforms Supported
Windows
Not Supported
Mac
Not Supported
Linux
Not Supported
Cloud
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
Anyone looking for a web-based enterprise informatics solution for accelerated drug design
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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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Support
Phone Support
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
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API
Offers API
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Screenshots and Videos |
Screenshots and Videos |
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Pricing
No information available.
Free Version
Not Supported
Free Trial
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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
Not Supported
Webinars
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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 InformationSchrödinger
Founded: 1990
United States
www.schrodinger.com/products/livedesign/drug-discovery
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Company InformationAlvascience
Founded: 2018
Italy
www.alvascience.com
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Categories |
Categories |
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Integrations
KNIME Analytics Platform
Not Supported
Python
Not Supported
alvaBuilder
Not Supported
alvaModel
Not Supported
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Integrations
KNIME Analytics Platform
Supported
Python
Supported
alvaBuilder
Supported
alvaModel
Supported
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