Evidence map›Paper›PMID 42158754›Full record

ArticleRSC advances2026

Machine learning for smell: ordinal odor strength prediction of molecular perfumery components.

Peter Fichtelmann, Julia Westermayr

Abstract read
In one paragraph

Article in RSC advances, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing 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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

2 authors.

Peter FichtelmannWilhelm-Ostwald Institute of Physical and Theoretical Chemistry, Leipzig University Linnéstraße 2 Leipzig 04103 Germany.ORCID https://orcid.org/0009-0005-9528-3713
Julia WestermayrWilhelm-Ostwald Institute of Physical and Theoretical Chemistry, Leipzig University Linnéstraße 2 Leipzig 04103 Germany.ORCID https://orcid.org/0000-0002-6531-0742

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Predicting olfactory perception directly from molecular structure is central to product design in a wide range of industries, such as perfumery, food and beverage, and health care. Among olfactory attributes, odor strength is a key factor in shaping odor perception, but its modeling has been impeded by scarce and fragmented intensity data. In this work, we introduce an ordinal odor strength data set of more than 2300 molecules by integrating two different public sources, mapping structures to odorless, low, medium, and high categories. Across several molecular encodings and supervised learning algorithms we compared different prediction strategies. Dimensionality reduction and SHAP analysis identified molecular shape, size and polarity as primary drivers, consistent with mass-transport constraints on volatility, sorption, and receptor access. This scalable ordinal framework enables reliable odor-strength estimation for novel molecules and provides a foundation for

Identifiers

PMID42158754
PMCPMC13182554

What OpenQuestion holds

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LicenceCC BY
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Registered trials

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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.