Evidence map›Paper›PMID 39191771›Full record

ArticleScientific data2024

An improved dataset of force fields, electronic and physicochemical descriptors of metabolic substrates.

Alessio Macorano, Angelica Mazzolari, Giuliano Malloci, Alessandro Pedretti, Giulio Vistoli, Silvia Gervasoni

Abstract readDataset
In one paragraph

Article in Scientific data, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

  1. Article
  2. MetaInternational journal of molecular sciences · 2025
    Article
  3. 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.

Alessio MacoranoDipartimento di Scienze Farmaceutiche, Università degli Studi di Milano, via Mangiagalli 25, 20133, Milano, Italy.ORCID 0009-0008-2743-1827
Angelica MazzolariDipartimento di Scienze Farmaceutiche, Università degli Studi di Milano, via Mangiagalli 25, 20133, Milano, Italy.ORCID 0000-0003-1352-1094
Giuliano MallociDipartimento di Fisica, Università degli Studi di Cagliari, Cittadella Universitaria, S.P. Monserrato-Sestu Km 0.7, I-09042, Monserrato, CA, Italy.ORCID 0000-0002-5985-257X
Alessandro PedrettiDipartimento di Scienze Farmaceutiche, Università degli Studi di Milano, via Mangiagalli 25, 20133, Milano, Italy.ORCID 0000-0001-5916-2029
Giulio VistoliDipartimento di Scienze Farmaceutiche, Università degli Studi di Milano, via Mangiagalli 25, 20133, Milano, Italy.ORCID 0000-0002-3939-5172
Silvia GervasoniDipartimento di Fisica, Università degli Studi di Cagliari, Cittadella Universitaria, S.P. Monserrato-Sestu Km 0.7, I-09042, Monserrato, CA, Italy. silvia.gervasoni@dsf.unica.it.ORCID 0000-0002-5731-3396

Funding

Ministero dell'Istruzione, dell'Università e della Ricerca (Ministry of Education, University and Research) project number PE00000019
6 · The paper itself

Abstract

In silico prediction of xenobiotic metabolism is an important strategy to accelerate the drug discovery process, as candidate compounds often fail in clinical phases due to their poor pharmacokinetic profiles. Here we present Meta

Indexed as

Quantum TheoryDrug DiscoveryMolecular Dynamics SimulationXenobioticsXenobiotics

Identifiers

PMID39191771
PMCPMC11349763

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.