Computational biology and chemistry

01 15 October 2026

DOI 10.1016/j.compbiolchem.2026.109497

Predictive and Mechanistic Evaluation of ODE-Informed Machine Learning for Systemic Lupus Erythematosus Disease-Activity Stratification

Open DOI

Hao Li, Li-Yun Wu, Anzun Yang et al.

02 15 October 2026

DOI 10.1016/j.compbiolchem.2026.109492

Donor-aware integration of public single-cell and spatial transcriptomes identifies a VIC remodeling program and FN1-NT5E spatial association in calcific aortic valve disease

Open DOI

Chao Song, Tumin Sha, Xu Zhang et al.

03 14 October 2026

DOI 10.1016/j.compbiolchem.2026.109496

A Multi-Modal Computational Strategy Integrating Ensemble Learning, Molecular Docking, and Drug-Likeness Profiling for the Discovery of Novel Small-Molecule TNF-α Inhibitors

Open DOI

Qi Liang, Yanan Mu, Qianqian Jia et al.

04 13 October 2026

DOI 10.1016/j.compbiolchem.2026.109491

Knowledge-guided identification of miR-7-5p/ACTC1 as a ferroptosis regulatory axis mediating intracellular ferrous iron accumulation in prostate cancer

Open DOI

Hubo Yang, Zongming Jia, Zhilei Sun et al.

05 13 October 2026

DOI 10.1016/j.compbiolchem.2026.109495

Deploying Machine Learning and Metagenomics for Predicting Gut Microbial Drug Biotransformation in Colorectal Cancer

Open DOI

Hema Palanisamy, Subramanian Vidyalakshmi

06 13 October 2026

DOI 10.1016/j.compbiolchem.2026.109493

Identification of Shared Cuproptosis- and Mitophagy-Related Hub Genes and Construction of a Diagnostic Model in Sepsis-Induced Acute Lung Injury

Open DOI

Ruimin Tan, Yonggang Jin, Yuan Yuan et al.

07 12 October 2026

DOI 10.1016/j.compbiolchem.2026.109489

HiNet3D: Integrating patient hierarchical aggregation network and molecular 3D-aware for medication recommendation

Open DOI

Zhennuo Wang, Shuang Du, Wenying Li et al.

08 10 October 2026

DOI 10.1016/j.compbiolchem.2026.109488

Integrative transcriptomic analysis and explainable machine learning reveal the potential mechanisms of acupuncture in Crohn's disease

Open DOI

Lian Mo, Yan Zhou, Yue Wu et al.

09 10 October 2026

DOI 10.1016/j.compbiolchem.2026.109478

Integrative multi-omics analysis reveals the PFAS-gut microbiome-FN1 axis in chronic kidney disease: From exposome to therapeutic target

Open DOI

Dandan Li, Jingya Yin, Hui Zhou et al.

10 9 October 2026

DOI 10.1016/j.compbiolchem.2026.109486

Computational screening of bacterial and fungal natural compounds targeting monkeypox virus DNA polymerase (F8) holoenzyme

Open DOI

Md. Shoket Islam, Nabil Jonayeth Alvee, Umme Ayman et al.