QsarDB Blog

Where everything that interest us will be posted

QsarDB predictor service supports DRAGON descriptors

September 17, 2020

Each model in QsarDB can be used for prediction if the user calculates or determines experimentally the descriptors in the model and enters them in the “QDB Predictor” application [1] or via the REST service [2]. For some models, the prediction service also works directly from the structure. In this case, the QsarDB repository calculates the required molecular descriptors on the fly. Currently, QsarDB supports this functionality for a limited number of models, and they use open source software (Chemistry Development Kit, PaDEL-Descriptor and XlogP3) to calculate molecular descriptors.

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QsarDB website got redesign

September 30, 2019

This summer, QsarDB’s main website underwent a major upgrade. The visual side was redesigned to have a modern look, but it was only a small part of the effort. Most of the work went into improving the documentation and its results are available in the new section, GUIDELINES.

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