• Next generation
    drug discovery solutions

    Pharmacelera provides software for drug discovery using novel molecular descriptors that find better molecule candidates.

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  • PharmScreen: A virtual screening tool for ligand-based drug design

    Pharmacelera's virtual screening solution generates more diverse leads, leading to a better chance of finding the right molecule.

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  • Improved R+D productivity with hardware acceleration

    Pharmacelera provides accelerated software for drug discovery, giving you results faster.

    More about PharmaBox

Why Pharmacelera solutions?


Our software is designed to run both in your desktop/laptop and in your company datacenter.

Outstanding quality results

Our novel molecular models are validated scientifically and provide better leads to your lead discovery and lead optimization processes.

Accelerated end-to-end solutions

Pharmacelera provides end-to-end solutions to those clients who want to take advantage of hardware acceleration and reduce time to market.



PharmScreen is a ligand-based virtual screening tool. PharmScreen uses a high precision 3D ligand-alignment algorithm based on the interaction fields that generates a more diverse set of leads.

Using PharmScreen you will increase the diversity of your project’s lead compounds giving substantial improvements in the properties of your hits and increasing the chances of finding the right molecule.

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PharmQSAR is a 3D Quantitative Structure-Activity Relationship (QSAR) tool able to combine multiple fields of interaction in order to perform CoMFA/CoMSIA studies.

With PharmQSAR you will be able to predict the activity of your compounds and generate isocontour maps of the relevant ligand-receptor interactions.

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PharmaBox is a desktop-like computational platform equipped with hardware accelerators that includes PharmScreen software pre-installed so you don't have to worry about how to configure and run the software. This platform can be easily set up at your office or your datacenter and can be accessed from your desktop/laptop easily.

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About us

Pharmacelera is a company formed by an experienced and cross-disciplinary team with its founders coming from Intel R&D Labs. We develop and sell software for Computer-Aided Drug Design (CADD) enabled to use hardware accelerators in order to solve the time vs. accuracy trade-off that limits existing solutions. Our customers include R&D departments of pharmaceutical companies and Contract Research Organizations (CRO).

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