Evidence map›Paper›PMID 42335255›Full record

ArticleJournal of chemical information and modeling2026

Balancing Data Quantity and Quality: Evaluating Curation Strategies for Bioactivity Prediction in Lead Optimization.

Carl C G Schiebroek, Gregory A Landrum, Sereina Riniker

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 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

3 authors.

Carl C G SchiebroekDepartment of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland.ORCID 0009-0007-3516-1508
Gregory A LandrumDepartment of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland.ORCID 0000-0001-6279-4481
Sereina RinikerDepartment of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland.ORCID 0000-0003-1893-4031

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Building good machine-learning (ML) models to predict the bioactivity of novel chemical matter remains a challenging task. Accurate models require a training set with a large number of diverse compounds and a low level of noise. When extracting data from public databases such as ChEMBL, different levels of curation rigor may be applied, resulting in training sets of varying size, diversity, and, presumably, noise levels. It is not possible to know

Indexed as

Data CurationDrug DiscoveryMachine LearningGraph Neural NetworksPrediction AlgorithmsPredictive Learning ModelsRandom Forest

Identifiers

PMID42335255
PMCPMC13370779

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

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.