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gandrianov authored Jun 3, 2021
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Our approach uses fragment screening techniques to identify the best fragments that are then concatenated into lead-like compounds. This allows us to significantly reduce the computational resources while performing a more comprehensive screen due to the smaller conformational space of fragments as compared to whole compounds

Comprehensive description of the approach can be find in [our paper](https://doi.org/10.1101/2021.06.01.446684)

## Prerequisites
[RDKit](https://www.rdkit.org)
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