Audience

Medicinal chemists, cheminformaticians and data scientists in academia, pharmaceutical and biotech research who need to curate, standardize, and analyze molecular datasets with an intuitive no-code interface.

About alvaMolecule

alvaMolecule is a no-code cheminformatics tool for visualizing, curating, and standardizing molecular datasets before analysis. It supports common molecular formats (SMILES, SDF/MOL2) and lets users explore collections in grid or spreadsheet views, with automatic import of associated data. The software provides structure verification and standardization using predefined standardizers and custom SMIRKS rules, helps detect and manage duplicates, and offers scaffold analysis to summarize core frameworks.

Built-in filters and charting tools enable sorting by substructure, calculated molecular descriptors, and physicochemical properties. alvaMolecule calculates ~88 structural and physicochemical properties, including drug-like and lead-like scores such as LogP, TPSA, and the Lipinski alert index, helping prepare high-quality datasets for QSAR/QSPR modeling, descriptor calculation, and virtual screening workflows.

Other Popular Alternatives & Related Software
FindMolecule
FindMolecule
(1 Rating)
FindMolecule is an innovative online inventory and ELN platform for chemists and biologists. It is used in labs all around the world to improve their efficiency. Great for structure searches, barcode scanning, health & safety, orders management and much more. The electronic lab notebook is the most intuitive on the market. Our inventory management software and our ELN are very intuitive. FindMolecule is built to satisfy the requirements of the most security-sensitive organizations. Link your inventory to your electronic lab notebook in one click! Use our innovative drawing application to search your products by structure. No more excel files is requiered! Reduce errors and eliminate waste time of manual recordkeeping using barcodes. Use our chemical inventory management system and facilitate your work with our advanced features: the multiscan module, the structure and substructure search, the “Order” section including an impressive database.
Learn more
alvaDesc
alvaDesc
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.
Learn more
SYNTHIA Retrosynthesis Software
SYNTHIA Retrosynthesis Software
(1 Rating)
Expert-coded by chemists and engineered by computer scientists, SYNTHIA™ Retrosynthesis Software enables scientists to quickly find and easily navigate innovative and novel pathways for novel and published target molecules. Quickly and efficiently scan hundreds of pathways to help you identify the best option according to your needs. Explore the most cost-effective routes to your target molecules with state of the art visualization and filtering options. Easily customize search parameters to eliminate or promote reactions, reagents or classes of molecules. Explore unique and innovative syntheses that may be unknown for building your desired molecule. Easily generate a list of commercially available starting materials for your synthesis. Benefit from ISO/IEC 27001 Information Security Certification to guarantee the confidentiality, integrity, and protection of your data.
Learn more
alvaBuilder
alvaBuilder
alvaBuilder is a no-code de novo molecular design software for generating novel chemical structures that satisfy user-defined structural, physicochemical, and modeling constraints. It enables the creation of new molecules starting from scratch or by evolving existing structures using fragment-based and rule-driven approaches. alvaBuilder integrates seamlessly with QSAR/QSPR workflows, allowing users to guide molecule generation using predictive models, descriptor ranges, and property targets. The software supports medicinal chemistry, lead optimization, and virtual screening tasks by efficiently exploring chemical space while maintaining chemical feasibility and interpretability. alvaBuilder is designed for research and industrial applications where transparent, controllable, and reproducible molecular generation is required.
Learn more

Pricing

Free Version:
Free Version available.
Free Trial:
Free Trial available.

Integrations

No integrations listed.

Ratings/Reviews

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

Company Information

Alvascience
Founded: 2018
Italy
www.alvascience.com

Videos and Screen Captures

Play Video
Other Useful Business Software
AI-powered service management for IT and enterprise teams Icon
AI-powered service management for IT and enterprise teams

Enterprise-grade ITSM, for every business

Give your IT, operations, and business teams the ability to deliver exceptional services—without the complexity. Maximize operational efficiency with refreshingly simple, AI-powered Freshservice.
Try it Free

Product Details

Platforms Supported
Windows
Mac
Linux
Training
Documentation
Webinars
Videos
Support
Online

alvaMolecule Frequently Asked Questions

Q: What kinds of users and organization types does alvaMolecule work with?
Q: What languages does alvaMolecule support in their product?
Q: What kind of support options does alvaMolecule offer?
Q: What type of training does alvaMolecule provide?
Q: Does alvaMolecule offer a free trial?

alvaMolecule Product Features

Page Already Claimed. Claim Again?