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SAMPL6 physicochemical property prediction challenge (logD, pKa and solubility)

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sampl6-physicochemical-properties

This repository contains work towards selecting small molecule compound sets for SAMPL6 physicochemical property prediction challenge. logD, pKa and solubility of selected compounds will be experimentally measured and a blind challenge for computational prediction of these properties will be conducted.

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  • Mehtap Isik
  • Andrea Rizzi
  • Arien Sebastian Rustenburg

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SAMPL6 physicochemical property prediction challenge (logD, pKa and solubility)

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