Evidence map›Paper›PMID 40087789›Full record

ReviewBiomarker research2025

Integrating artificial intelligence in drug discovery and early drug development: a transformative approach.

Alberto Ocana, Atanasio Pandiella, Cristian Privat, Iván Bravo, Miguel Luengo-Oroz, Eitan Amir, Balazs Gyorffy

Abstract readReview
In one paragraph

Review in Biomarker research, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 71 papers.

0numbers the graph read from it
0cells of the map it votes in
71citing 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

71 citing papers in PubMed.

  1. Review
  2. Antibody-drug conjugate engineering: from design to efficacy and safety.Signal transduction and targeted therapy · 2026
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11 more citing papers are in PubMed but not listed here.

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.

Alberto OcanaExperimental Therapeutics in Cancer Unit, Medical Oncology Department, Instituto de Investigación Sanitaria San Carlos (IdISSC), Hospital Clínico San Carlos and CIBERONC, Madrid, Spain. alberto.ocana@salud.madrid.org.
Atanasio PandiellaInstituto de Biología Molecular y Celular del Cáncer, CSIC, IBSAL and CIBERONC, Salamanca, 37007, Spain.
Cristian Privat, CancerAppy, Av Ribera de Axpe, 28, Erando, 48950, Vizcaya, Spain.
Iván BravoFacultad de Farmacia, Universidad de Castilla La Mancha, Albacete, Spain.
Miguel Luengo-Oroz, Spotlab, Paseo Juan XXIII 36b, Albacete, 28007, Spain.
Eitan AmirPrincess Margaret Cancer Center, Toronto, Canada.
Balazs GyorffyDepartment of Bioinformatics, Semmelweis University, Tűzoltó U. 7-9, Budapest, 1094, Hungary.

Funding

ACEPAIN 000/2023CRIS Cancer Foundation AOF.C01CRISMinisterio de Ciencia e Innovación CPP2021-008597
6 · The paper itself

Abstract

Artificial intelligence (AI) can transform drug discovery and early drug development by addressing inefficiencies in traditional methods, which often face high costs, long timelines, and low success rates. In this review we provide an overview of how to integrate AI to the current drug discovery and development process, as it can enhance activities like target identification, drug discovery, and early clinical development. Through multiomics data analysis and network-based approaches, AI can help to identify novel oncogenic vulnerabilities and key therapeutic targets. AI models, such as AlphaFold, predict protein structures with high accuracy, aiding druggability assessments and structure-based drug design. AI also facilitates virtual screening and de novo drug design, creating optimized molecular structures for specific biological properties. In early clinical development, AI supports patient recruitment by analyzing electronic health records and improves trial design through predictive modeling, protocol optimization, and adaptive strategies. Innovations like synthetic control arms and digital twins can reduce logistical and ethical challenges by simulating outcomes using real-world or virtual patient data. Despite these advancements, limitations remain. AI models may be biased if trained on unrepresentative datasets, and reliance on historical or synthetic data can lead to overfitting or lack generalizability. Ethical and regulatory issues, such as data privacy, also challenge the implementation of AI. In conclusion, in this review we provide a comprehensive overview about how to integrate AI into current processes. These efforts, although they will demand collaboration between professionals, and robust data quality, have a transformative potential to accelerate drug development.

Indexed as

AlphaFoldArtificial intelligenceClinical trialsDeep learningDrug discoveryEarly clinical developmentNeural networksOncologyTarget identification

Identifiers

PMID40087789
PMCPMC11909971

What Socratic 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 Socratic graph.