Evidence map›Paper›PMID 37312012›Full record

ArticleJournal of computer-aided molecular design2023

On the construction of LIECE models for the serotonin receptor 5-HT

Aida Shahraki, Jana Selent, Peter Kolb

Abstract read
In one paragraph

Article in Journal of computer-aided molecular design, 2023. 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.

Aida ShahrakiDepartment of Pharmaceutical Chemistry, Philipps-University Marburg, Marbacher Weg 8, 35032, Marburg, Germany.
Jana SelentResearch Programme on Biomedical Informatics, Hospital del Mar Research Institute and Pompeu Fabra University, 08003, Barcelona, Spain.
Peter KolbDepartment of Pharmaceutical Chemistry, Philipps-University Marburg, Marbacher Weg 8, 35032, Marburg, Germany. peter.kolb@uni-marburg.de.

Funding

Bundesministerium für Bildung und Forschung 1EW1909Deutsche Forschungsgemeinschaft KO4065/5-1European Commission PI18/00094Instituto de Salud Carlos III C18/00030
6 · The paper itself

Abstract

Computer-aided approaches to ligand design need to balance accuracy with speed. This is particularly true for one of the key parameters to be optimized during ligand development, the free energy of binding (

Indexed as

SerotoninSoftwareEntropyLigandsReceptors, SerotoninLigandsReceptors, SerotoninSerotonin5-HTRFree energy of bindingG protein-coupled receptorLIECE

Identifiers

PMID37312012
PMCPMC10276788

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.