t-cirino/SangsterLogP: v1.0

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Thalita Cirino
DOI: 10.5281/zenodo.19625460
Cited by: 1

Abstract

This repository provides the Python script accompanying the Scientific Data data descriptor by Cirino et al. (2026). This script classifies compounds by ionisation state, and adjusts logD measuments for ionised compounds to logP value, as described in the Methods section of the manuscript. It is provided to support reproducibility of the dataset generation and validation workflows.

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
17 April 2026