Evidence map›Paper›PMID 36002382›Full record

ReviewMolecular informatics2022

Advances in Computational Polypharmacology.

Christian Feldmann, Jürgen Bajorath

Abstract readReview
In one paragraph

Review in Molecular informatics, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing 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

6 citing papers in PubMed.

  1. Mutant-Selective Binding ofInternational journal of molecular sciences · 2026
    Article
  2. Polypharmacology: new drugs in 2023-2024.Pharmacological reports : PR · 2025
    Review
  3. Review
  4. Article
  5. Polypharmacology: promises and new drugs in 2022.Pharmacological reports : PR · 2023
    Review
  6. Advances in Computational Polypharmacology.Molecular informatics · 2022
    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

2 authors.

Christian FeldmannDepartment of Life Science Informatics, Bonn-Aachen International Center for Information Technology, Rheinische Friedrich-Wilhelms-Universität Bonn, Friedrich-Hirzebruch-Allee 5/6, D-53115, Bonn, Germany.
Jürgen BajorathDepartment of Life Science Informatics, Bonn-Aachen International Center for Information Technology, Rheinische Friedrich-Wilhelms-Universität Bonn, Friedrich-Hirzebruch-Allee 5/6, D-53115, Bonn, Germany.ORCID http://orcid.org/0000-0002-0557-5714

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In drug discovery, polypharmacology encompasses the use of small molecules with defined multi-target activity and in vivo effects resulting from multi-target engagement. Multi-target compounds are often efficacious in the treatment of complex diseases involving target and pathway networks, but might also elicit unwanted side effects. Computational approaches such as target prediction or multi-target ligand design have been used to support polypharmacological drug discovery. In addition to efforts directed at the identification or design of new multi-target compounds, other computational investigations have aimed to differentiate such compounds from potential false-positives or explore the molecular basis of multi-target activities. Herein, a concise overview of the field is provided and recent advances in computational polypharmacology through machine learning are discussed.

Indexed as

computational methodsexplainable machine learningmedicinal chemistrymolecular designmulti-target compoundsPolypharmacology

Identifiers

PMID36002382
PMCPMC10078381

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
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.