Evidence map›Paper›PMID 39013438›Full record

ArticleJournal of chemical information and modeling2024

Near-Term Quantum Classification Algorithms Applied to Antimalarial Drug Discovery.

Matthew A Dorsey, Kelvin Dsouza, Dhruv Ranganath, Joshua S Harris, Thomas R Lane, Fabio Urbina, Sean Ekins

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed, 1 pooled it
–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

2 citing papers in PubMed, 1 synthesis or guideline pooled it.

  1. Pooled it
  2. Review
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

7 authors.

Matthew A DorseyChemical and Biomolecular Engineering, North Carolina State University, Raleigh, North Carolina 27606, United States.
Kelvin DsouzaElectrical and Computer Engineering, North Carolina State University, Raleigh, North Carolina 27606, United States.
Dhruv RanganathBiomedical Engineering, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27514, United States.
Joshua S HarrisCollaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States.
Thomas R LaneCollaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States.ORCID 0000-0001-9240-4763
Fabio UrbinaCollaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States.
Sean EkinsCollaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States.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

Computational approaches are widely applied in drug discovery to explore properties related to bioactivity, physiochemistry, and toxicology. Over at least the last 20 years, the exploitation of machine learning on molecular data sets has been used to understand the structure-activity relationships that exist between biomolecules and druggable targets. More recently, these methods have also seen application for phenotypic screening data for neglected diseases such as tuberculosis and malaria. Herein, we apply machine learning to build quantum Quantitative Structure Activity Relationship models from antimalarial data sets. There is a continual need for new antimalarials to address drug resistance, and the readily available

Indexed as

AntimalarialsDrug DiscoveryMachine LearningQuantum TheoryAlgorithmsQuantitative Structure-Activity RelationshipAntimalarials

Identifiers

PMID39013438
PMCPMC11338495

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.