Skip to main content
. Author manuscript; available in PMC: 2022 Jul 1.
Published in final edited form as: J Comput Aided Mol Des. 2021 Jun 28;35(7):819–830. doi: 10.1007/s10822-021-00400-x

Fig. 1.

Fig. 1

The SAMPL7 log P challenge molecules. The SAMPL7 target molecules are shown in their 2D structures in their neutral microstate (micro000). The 2D structures are generated and drawn from SMILES by RDkit [64].