Drug Discovery
14 gains2 Traces8 problems
Every measured gain and problem on the record for this topic, newest first. Updated .
One square per record, darker for stronger evidence:Evidence: 0 high15 moderate9 emerging
AI in drug discovery
Most evidence on AI in drug discovery comes from lab benchmarks, cell assays and animal studies, with very little from patients. TRV-2026-0893TRV-2026-0940TRV-2026-2408 Authors of a Nature Reviews Drug Discovery Perspective say that after a decade, evidence of safer, more effective medicines reaching patients faster is disappointingly limited. TRV-2026-0733
A randomized, placebo-controlled trial in 51 healthy adults shows the AI-optimized COVID antibody GB-0669 caused no dose-limiting toxicities and had a 54-day half-life. TRV-2026-0225 In a controlled comparison, 85% of 100 AI-optimized antibiotic peptides were hits, and they outperformed their templates in two mouse models of Acinetobacter baumannii infection. TRV-2026-0193 On trial paperwork, the TrialScout tool linked registrations to published results with 92.5% sensitivity, and human error explained 123 of 200 reviewed disagreements with earlier matches. TRV-2026-0918
An AI literature screener scored an F1 of 0.684 on drug-drug queries, against 0.872 for drug-family queries, in a test on 7,751 articles. TRV-2026-1610 A GPT-4.1 tool reading consent forms matched experts on 92.1% of forms after tuning, which leaves a share of answers wrong. The authors note that hallucinations limit reliability in high-stakes settings. TRV-2026-1539 An AI tool that masks patient identifiers reached 88.48% average accuracy, which means some trial documents were not correctly desensitized. TRV-2026-1530 A review in the International Journal of Pharmaceutics says no AI-designed polymeric-lipid nanoparticle for breast cancer has entered a registered clinical trial. TRV-2026-1298
The anticancer prediction model was validated externally on only 10 FDA-approved compounds, and its ranked predictions for 1200 drugs are unconfirmed. TRV-2026-1723 TrialTriage matched the answer key on all 90 synthetic cases, but the authors say real-world performance is not shown. TRV-2026-0666 The AI-designed bird flu vaccine protected mice and ferrets in an animal study, and it still has to be tested in human clinical trials. TRV-2026-2408 An AI framework flagged 817 terminated trials that may have failed from unwanted drug spread in the body, though no drug has been shown revived. TRV-2026-2336
The strongest results are a small human safety trial of an AI-optimized antibody and animal studies of peptides, a vaccine and prostate cancer drugs. TRV-2026-0225TRV-2026-0193TRV-2026-2408TRV-2026-1644
See these 5 recordsModels rank well on benchmarks and turn up lab hits, but the work is preclinical and some methods are not built for large screens. TRV-2026-0940TRV-2026-1348TRV-2026-1663TRV-2026-1723TRV-2026-1954
See these 4 recordsLab tests plus machine learning flagged liver-toxic drugs in a 170-drug test, while reviews say black-box toxicity models struggle to win regulators' trust. TRV-2026-1295
A Trace is one record with both a gain and a problem, so it counts on both sides: 16 records show a gain and 10 show a problem. 20 context records are in the record list but not counted, because they report no measured gain or problem.
| Evidence | Gain side | Problem side |
|---|---|---|
| HighStrong study design, backed by at least two independent sources | 0 | 0 |
| ModerateA measured study or an official source | 12 | 3 |
| EmergingEarly, small, unreviewed or reported second-hand | 4 | 7 |
By type of evidence: 9 benchmark or lab tests; 6 controlled comparisons; 6 commentaries or narrative reviews; 1 news report; 1 investigation by reporters; 1 randomized trial. How evidence is scored
Against earlier human-coded matches, the TrialScout AI tool linked trial registrations to published results with 92.5% sensitivity and 81.2% specificity, and human error explained 123 of 200 reviewed disagreements.
In a check of 9,000 randomly chosen samples from 100,000 processed trial image records, an AI tool masked patient identifiers with 88.48% average accuracy, reaching 99.40% on serious adverse event documents.
In a placebo-controlled trial of 51 healthy adults, the AI-optimized antibody GB-0669 caused no dose-limiting toxicities, had a 54-day half-life, and showed dose-dependent virus neutralization in blood samples.
In a test on 7,751 articles, the AI literature screener's F1-score was 0.684 for drug-drug queries and 0.731 for single-drug queries, against 0.872 for drug-family queries.
With her liver failing, her skin was a ghostly apricot. The thoughts creep in as we are bombarded by artificial intelligence chief executives making bold proclamations such as “AI will cure cancer in five to 10 years” or “AI will cure cancer in our lifetimes”.
AI tools for matching results, screening patients, reading consent forms and masking identifiers do well in tests but still make errors. TRV-2026-0918TRV-2026-1530TRV-2026-1539TRV-2026-0666TRV-2026-2336
See these 4 recordsReviews and reporting say data problems, weak interpretability and few clinical trials leave the claim of better medicines largely unproven. TRV-2026-1172TRV-2026-0733TRV-2026-0893TRV-2026-1151TRV-2026-1298TRV-2026-0356
See these 5 recordsEach record sits in one thread at most. A record with both a gain and a problem counts on both sides. 3 records fit none of these threads.
The review says poor data quality, limited interpretability and poor generalizability still limit reproducible nanoparticle synthesis and clinical adoption of AI-driven nanomedicine.
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"Inside the Dáil" by David Kernan, CC BY 4.0.A 2026 review in Therapeutic Innovation & Regulatory Science assessed artificial intelligence for real-world evidence in oncology from a statistical perspective for regulatory decisions.
Therapeutic Innovation & Regulatory Science
By July 2026, a narrative review of 127 peer-reviewed studies from 2015-2026 examined how AI and ML are being used in pharmaceutical research and healthcare.
This peer-reviewed review from August 2026 examines how machine learning, deep learning, NLP, and generative modeling are being used across medicinal chemistry, including target discovery, virtual screening, property…
On August 12, 2026, a review in the International Journal of Toxicology summarized AI and machine learning use in toxicological risk assessment to predict chemical toxicity and support regulatory decisions, noting that…
A 2026 Perspective in Nature Reviews Drug Discovery reviews a decade of artificial intelligence in drug discovery, asking where advances have translated into safer and more efficacious medicines delivered faster.
On 2026-08-07, a Review in Nature Reviews Clinical Oncology described how AI enabled by electronic health record datasets and machine learning is being applied across pre-trial design, conduct, and…
Researchers developed TrialTriage, a semiautonomous prescreening workflow on the n8n platform that uses large language model extraction from clinical narratives and investigator email replies plus a…
By July 30 2026, a narrative review in Journal of Computer-Aided Molecular Design described the use of structural modeling and artificial intelligence for functional prediction of proteins encoded by…
This critical review from July 30 2026 examines quorum-sensing, particularly LuxS-mediated AI-2 signaling, in Salmonella Typhi as a regulator of virulence, biofilm formation, and persistence amid…
Published December 12, 2025 as a peer-reviewed review, the article synthesizes how AI and bioinformatics are being applied across pharmaceutical R&D, from target identification to clinical use.
Published March 17, 2026, this peer-reviewed review in BioNanoScience examines how artificial intelligence and machine learning are used to design and characterize nanoparticles for medical use.
This peer-reviewed review from October 2024 surveys how AI techniques such as machine learning and deep learning are applied across pharmaceutical development, including target identification and…
Researchers conducted pre-clinical studies in cynomolgus monkeys and a first-in-human trial of GB-0669, described as a half-life-extended monoclonal antibody optimized using artificial intelligence…
Researchers developed ApexGO, a generative AI approach that modifies existing peptide scaffolds using a transformer variational autoencoder and Bayesian optimization.
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