Evidence map›Paper›PMID 38990780›Full record

ArticleACS chemical neuroscience2024

Machine Learned Classification of Ligand Intrinsic Activities at Human μ-Opioid Receptor.

Myongin Oh, Maximilian Shen, Ruibin Liu, Lidiya Stavitskaya, Jana Shen

Abstract read
In one paragraph

Article in ACS chemical neuroscience, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing 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

5 citing papers in PubMed.

  1. Article
  2. Review
  3. Article
  4. Article
  5. Article
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

5 authors.

Myongin OhDivision of Applied Regulatory Science, Office of Clinical Pharmacology, Center for Drug Evaluation and Research, United States Food and Drug Administration, Silver Spring, Maryland 20993, United States.ORCID 0000-0003-1145-5142
Maximilian ShenDepartment of Electrical and Computer Engineering, University of Maryland, College Park, Maryland 20742, United States.ORCID 0009-0006-7435-9034
Ruibin LiuDepartment of Pharmaceutical Sciences, University of Maryland School of Pharmacy, Baltimore, Maryland 21201, United States.ORCID 0000-0001-8395-9353
Lidiya StavitskayaDivision of Applied Regulatory Science, Office of Clinical Pharmacology, Center for Drug Evaluation and Research, United States Food and Drug Administration, Silver Spring, Maryland 20993, United States.ORCID 0000-0002-6307-2314
Jana ShenDepartment of Pharmaceutical Sciences, University of Maryland School of Pharmacy, Baltimore, Maryland 21201, United States.ORCID 0000-0002-3234-0769

Funding

Electrostatic modulation of protein stability and foldingR01GM098818 · NIGMS · UNIVERSITY OF OKLAHOMA · PI SHEN, JANA · 2011 to 2021
$2.9M
Molecular mechanisms of proton-coupled dynamic processes in biologyR35GM148261 · NIGMS · UNIVERSITY OF MARYLAND BALTIMORE · PI Jana Shen · 2023 to 2026
$1.5M
A Multi-pronged Computational Approach to Advance Kinase Drug DiscoveryR01CA256557 · NCI · UNIVERSITY OF MARYLAND BALTIMORE · PI SHEN, JANA · 2021 to 2024
$1.4M
NCI NIH HHS R01 CA256557NIGMS NIH HHS R01 GM098818NIGMS NIH HHS R35 GM148261
6 · The paper itself

Abstract

Opioids are small-molecule agonists of μ-opioid receptor (μOR), while reversal agents such as naloxone are antagonists of μOR. Here, we developed machine learning (ML) models to classify the intrinsic activities of ligands at the human μOR based on the SMILES strings and two-dimensional molecular descriptors. We first manually curated a database of 983 small molecules with measured

Indexed as

Machine LearningReceptors, Opioid, muAnalgesics, OpioidAnimalsHumansLigandsMiceNeural Networks, ComputerRatsAnalgesics, OpioidLigandsReceptors, Opioid, muagonismartificial intelligencechemical structureopioidSMILES

Identifiers

PMID38990780
PMCPMC12341632

What OpenQuestion holds

Textmetadata
LicenceTDM
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.