CBDD_Torribera
Published July 17, 2026 | Version v1
Dataset Open

B3YLP-derived atomic logP dataset

Authors/Creators

  • 1. Pharmacelera
  • 2. ROR icon Universitat de Barcelona
  • 3. University of Barcelona

Description

This dataset contains a large set of molecules with atomic solvation (MST) properties calculated at DFT (B3LYP) Quantum Mechanical level.

Files

Files (469.7 MB)

Name Size
md5:bdf24bbea3bd33027b250584da3677db
469.7 MB Download