Software for Data Science in the Pharmaceutical domain

CPSign

CPSign is a tool for modeling in cheminformatics using Conformal Prediction (CP) with the Signatures molecular descriptor and Support Vector Machines (SVM). Its is available as a Java .jar executable and requires a license file. Contact  ola.spjuth@arosbio.com to discuss licensing options.

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Documentation
API examples (Java)

Conformal Prediction

Conformal prediction is a well established mathematical framework that delivers object-based predictions, an alternative approach to the domain applicability estimation.
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About Us

Aros Bio AB is a Swedish company based in Uppsala, as a spin-off from research at Uppsala University in the Pharmaceutical Bioinformatics group.

Contact us: ola.spjuth@arosbio.com