Evidence map›Paper›PMID 40576990›Full record

ArticleEnvironmental science & technology2025

Machine Learning and Large Language Models for Modeling Complex Toxicity Pathways and Predicting Steroidogenesis.

Thomas R Lane, Patricia A Vignaux, Joshua S Harris, Scott H Snyder, Fabio Urbina, Sean Ekins

Abstract read
In one paragraph

Article in Environmental science & technology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing 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

4 citing papers in PubMed.

  1. Article
  2. Article
  3. Review
  4. 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

6 authors.

Thomas R LaneCollaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States of America.ORCID 0000-0001-9240-4763
Patricia A VignauxCollaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States of America.ORCID 0009-0004-4015-6410
Joshua S HarrisCollaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States of America.
Scott H SnyderCollaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States of America.
Fabio UrbinaCollaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States of America.
Sean EkinsCollaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States of America.ORCID 0000-0002-5691-5790

Funding

Centralized assay datasets for modelling support of small drug discovery organizationsR44GM122196 · NIGMS · COLLABORATIONS PHARMACEUTICALS, INC. · PI EKINS, SEAN · 2018 to 2022
$3.3M
MegaTox for analyzing and visualizing data across different screening systemsR44ES031038 · NIEHS · COLLABORATIONS PHARMACEUTICALS, INC. · PI EKINS, SEAN · 2022 to 2023
$1.7M
NIEHS NIH HHS R44 ES031038NIGMS NIH HHS R44 GM122196
6 · The paper itself

Abstract

High-throughput screening and computational models have been effective in predicting chemical interactions with estrogen and androgen receptors, but similar approaches for steroidogenesis remain limited. To address this gap, we developed general steroidogenesis modulation models using data from ∼1,800 chemicals screened in H295R human adrenocortical carcinoma cells. A random forest model was validated using a prospective test set of 20 compounds (14 predicted active, 6 inactive), achieving 80% accuracy with conformal prediction adjustments. In parallel, we built classification and regression models based on IC

Indexed as

Machine LearningSteroidsCell Line, TumorHumansLarge Language ModelsSteroidsconformal predictorsendocrine disruptionlarge language modelsmachine learningMolBARTsteroidogenesis

Identifiers

PMID40576990
PMCPMC12486300

What OpenQuestion holds

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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.