AI agents in drug discovery: A review of evolution, applications, and future directions

Computer Methods and Programs in Biomedicine · Published 2026-07-09 · DOI 10.1016/j.cmpb.2026.109539

Authors (3)

Sarobi Das, Md Meftahul Ferdaus, Tanmoy Dam

Abstract

PubPorta does not have an abstract for this article yet.

Read the article at the publisher →

Publication details

Year

2026

Citation

Das, S., Ferdaus, M., Dam, T. (2026). AI agents in drug discovery: A review of evolution, applications, and future directions. Computer Methods and Programs in Biomedicine. https://doi.org/10.1016/j.cmpb.2026.109539

Related articles

• Medical question answering: A comprehensive multimodal and LLM-driven survey · Computer Methods and Programs in Biomedicine · 2026 · Same journal
• DDVMM: A dual-branch pyramid model for mono-modal medical image registration · Computer Methods and Programs in Biomedicine · 2026 · Same journal
• Fusion of ERP and fNIRS signals for classification of internet gaming disorder in an attention-modulating dot-probe task · Computer Methods and Programs in Biomedicine · 2026 · Same journal
• Explainable machine learning models predict liver fibrosis risk and outcome in the general population: Development and multi-cohort external validation · Computer Methods and Programs in Biomedicine · 2026 · Same journal
• A parameter computation and optimization method in multi-directional exciting tumor treating fields · Computer Methods and Programs in Biomedicine · 2026 · Same journal
• Computational Screening of Natural Compounds Reveals Glycyrrhisoflavone as a Potential Hepatitis B X-interacting Protein Inhibitor · Computer Methods and Programs in Biomedicine · 2026 · Same journal
• Predicting OCT-defined vulnerable plaques and MACE using quantitative imaging features of pericoronary adipose tissue from coronary CTA · Computer Methods and Programs in Biomedicine · 2026 · Same journal
• Information bottleneck-driven Gaussian PID enables modality-level interpretability in multimodal survival prediction · Computer Methods and Programs in Biomedicine · 2026 · Same journal
• Non-invasive coronary fractional flow reserve prediction using a neural network with hemodynamic and geometric embeddings: A proof-of-concept study · Computer Methods and Programs in Biomedicine · 2026 · Same journal
• MMFVS-Net: A triple-symmetric cross-attention network for multimodal optical image fusion and high-accuracy virtual staining of breast cancer tissues · Computer Methods and Programs in Biomedicine · 2026 · Same journal