Hit identification

Mcule's Workflow Builder is a cost-effective, cloud-based solution for identifying new chemical starting points by structure- and ligand-based virtual screening and screening library design.

Comprehensive set of drug discovery tools that can be used as LEGO bricks to build up complex workflows

Modeling tools

Structure-based virtual screening (Docking (Vina))
Ligand-based virtual screening
Physicochemical property filter with high quality descriptors (Chemaxon)
Pioneer technologies in web based molecule visualization
Large-scale molecular diversity selection
Continuously growing modeling toolkit
Integrated with 35M+ purchasable screening compound database

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Molecule collection management

Store, modify, delete, merge, import, export and share molecule databases and libraries
Permanent and automated storage of search / screening results
Intuitive collection and result visualization with multiple views
Display / undisplay properties and search results, fast sorting capabilities

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Easy-to-use, cost effective, full solution designed for both professionals and beginners

It's online

Extremely easy web interface
Download not required
Installation not required

Cloud computing

Unlimited computational power & storage
Hardware not required
Maintenance not required

Learn about Hit identification on Mcule's online documentation site »

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Ed, the chemist, has a new project. He needs new chemical starting points that inhibit his target. Ed runs a virtual screen at mcule.com and orders the best hits. He identifies a new hit that inhibits his target and is suitable for further optimization.

Discover mcule.com with Ed, the Chemist!

"I can't think of any searchable online catalog with attention to detail that's comparable to mcule.com - both usability and functionality"