Evidence map›Paper›PMID 40204715›Full record

SynthesisThe pharmacogenomics journal2025

Meta-analysis and review of in silico methods in drug discovery - part 1: technological evolution and trends from big data to chemical space.

Arife Uzundurukan, Mark Nelson, Christopher Teske, Mohamed Shahidul Islam, Elzagheid Mohamed, John Victor Christy, Holli-Joi Martin, Eugene Muratov, Samantha Glover, Domenico Fuoco

Abstract readMeta-AnalysisSystematic Review
PubMed Publisher
In one paragraph

Synthesis in The pharmacogenomics journal, 2025. 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. Molecules (Basel, Switzerland) · 2026
    Article
  3. Review
  4. Review
  5. 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

10 authors.

Arife UzundurukanCentre de Recherche Acoustique-Signal-Humain, Université de Sherbrooke, 2500 Bd de l'Université, Sherbrooke, J1K 2R1, QC, Canada.ORCID 0000-0003-1104-1644
Mark NelsonPiramal Pharma Solutions, Inc, 18655 Krause St., Riverview, MI 48193, Altoris, Inc., San Diego, CA, USA.
Christopher TeskeOncology Research Faculty, Trinity Health, Ann Arbor, MI, USA.ORCID 0000-0002-2914-306X
Mohamed Shahidul IslamQuality and Compliance Department, BIOVANTEK Global, 10149, chemin de la cote-de-liesse, Montréal, QC, Canada.
Elzagheid MohamedRoyal Commission for Jubail and Yanbu, Jubail Industrial City, Kingdom of Saudi Arabia.ORCID 0000-0001-8945-9544
John Victor ChristyR&D Department, Novacab, Ottawa, ON, Canada.ORCID 0000-0002-3343-5532
Holli-Joi MartinLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA.ORCID 0000-0002-9123-0439
Eugene MuratovUNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, USA.ORCID 0000-0003-4616-7036
Samantha GloverQuantum Business Solution. Beverly Hills, Los Angeles, CA, USA.
Domenico FuocoDepartment of Chemical Engineering, École Polytechnique de Montréal, 2500 Chem. de Polytechnique, Montréal, H3T 1J4, QC, Canada. domenicofuoco@live.ca.ORCID 0000-0002-8157-2291

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

This review offers an overview of advanced in silico methods crucial for drug discovery, emphasizing their integration with data science, and investigates the effectiveness of data science, machine learning, and artificial intelligence via a thorough meta-analysis of existing technologies. This meta-analysis aims to rank these technologies based on their applications and accessibility of knowledge. Initially, a search strategy yielded 900 papers, which were then refined into two subsets: the top 300 most-cited papers since 2000 and papers selected for systematic review based on high impact. From these, 97 articles were identified for discussion, categorized by their influence on society. The focus remains on the qualitative impact of these disciplines rather than solely on metrics like new drug approvals. Ultimately, the review underscores the role of big data in enhancing our comprehension of drug candidate trajectories from development to commercialization, utilizing information stored in publicly available databases to chemical space. Graphical extrapolation of some keywords (Drug Discovery; Big Data; Database; Metadata) discussed in this article and their evolution (in terms of absolute items that are available) by time.

Indexed as

Big DataComputer SimulationDrug DiscoveryArtificial IntelligenceDatabases, FactualData ScienceHumansMachine Learning

Identifiers

What OpenQuestion holds

Textmetadata
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.