Evidence map›Paper›PMID 42098167›Full record

ArticleScientific data2026

SangsterLogP - the largest publicly available dataset of logP values.

Thalita Cirino, Giulia Caron, Giuseppe Ermondi, Larysa Charochkina, Igor V Tetko

Abstract read
In one paragraph

Article in Scientific data, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Thalita CirinoDepartment of Molecular Biotechnology and Health Sciences, University of Turin, Turin, 10126, Italy. thalita.cirino@unito.it.
Giulia CaronDepartment of Molecular Biotechnology and Health Sciences, University of Turin, Turin, 10126, Italy.
Giuseppe ErmondiDepartment of Molecular Biotechnology and Health Sciences, University of Turin, Turin, 10126, Italy.
Larysa CharochkinaV.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, Kyiv, 02094, Ukraine.
Igor V TetkoVirtual Computational Chemistry Laboratory, Institute of Structural Biology, Molecular Targets and Therapeutics Center, Helmholtz Zentrum München, Neuherberg, 86764, Germany. igor.tetko@helmholtz-munich.de.

Funding

European Comission (Erasmus Mundus Joint Master) 101050809HORIZON EUROPE Marie Sklodowska-Curie Actions 101120466HORIZON EUROPE Marie Sklodowska-Curie Actions 101168916
6 · The paper itself

Abstract

We present SangsterLogP, the largest publicly available curated dataset of experimental logP values, comprising more than 23k unique molecules, with experimental logP values ranging from -3.8 to 11.7 (about 15.9 log units). The dataset originated from Dr. James Sangster's comprehensive literature review of over 3k sources. We implemented a systematic curation workflow including a) logD-to-logP adjustment for ionised compounds and b) consensus-based residual analysis for outliers and duplicates removal. External validation using retrospective and prospective test sets demonstrated robust predictive performance (RMSE of 0.34 and 0.47 log units, respectively). SangsterLogP also substantially expands coverage of chemical space compared to the widely used legacy PHYSPROP database, including compounds in the beyond-Rule-of-5 domain. The fully annotated dataset, including experimental conditions and sources, is freely accessible via the Zenodo repository and on the Online Chemical database and Modelling Environment website.

Identifiers

PMID42098167
PMCPMC13365469

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.