Evaluation of log P, pKa, and log D predictions from the SAMPL7 blind challenge Teresa Danielle BergazinNicolas TielkerDavid L. Mobley OriginalPaper Open access 24 June 2021 Pages: 771 - 802
Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model Antonio ViaynaSilvana PinheiroWilliam J. Zamora OriginalPaper Open access 10 July 2021 Pages: 803 - 811
COSMO-RS predictions of logP in the SAMPL7 blind challenge Judith WarnauKarin WichmannJens Reinisch OriginalPaper 14 June 2021 Pages: 813 - 818
Predicting partition coefficients for the SAMPL7 physical property challenge using the ClassicalGSG method Nazanin DonyapourAlex Dickson OriginalPaper 28 June 2021 Pages: 819 - 830
Energy-entropy prediction of octanol–water logP of SAMPL7 N-acyl sulfonamide bioisosters Fabio FalcioniJas KalayanRichard H. Henchman OriginalPaper Open access 10 July 2021 Pages: 831 - 840
SAMPL7 blind challenge: quantum–mechanical prediction of partition coefficients and acid dissociation constants for small drug-like molecules Basak Koca FındıkZeynep Pinar HaslakViktorya Aviyente OriginalPaper 24 June 2021 Pages: 841 - 851
Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules Shujie FanHristo NedevOliver Beckstein OriginalPaper 07 July 2021 Pages: 853 - 870
