ChemSketch

ChemSketch

ACD/Labs
alvaDesc

alvaDesc

Alvascience
+
+

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About

Comprehensive molecular structure drawing and naming. Draw chemical structures and communicate your science.

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.

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Audience

Chemists

Audience

Medicinal chemists, computational chemists, cheminformaticians, and data scientists working on QSAR/QSPR, molecular modeling, and chemical data analysis in academia and industry.

Support

Phone Support
24/7 Live Support
Online

Support

Phone Support
24/7 Live Support
Online

API

Offers API

API

Offers API

Screenshots and Videos

Screenshots and Videos

Pricing

No information available.
Free Version
Free Trial

Pricing

No information available.
Free Version
Free Trial

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

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Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Training

Documentation
Webinars
Live Online
In Person

Training

Documentation
Webinars
Live Online
In Person

Company Information

ACD/Labs
Founded: 1994
Canada
www.acdlabs.com/products/chemsketch/

Company Information

Alvascience
Founded: 2018
Italy
www.alvascience.com

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alvaModel

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PhysChem Suite

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Tox Suite

Tox Suite

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Categories

Categories

Integrations

KNIME Analytics Platform
Python
alvaBuilder
alvaModel

Integrations

KNIME Analytics Platform
Python
alvaBuilder
alvaModel
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