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Computational Biology and Chemistry

Computational Biology and Chemistry is a peer-reviewed journal that focuses on the intersection of computer science, mathematics, and biology. It publishes cutting-edge research articles and reviews that explore the application of computational methods and algorithms to solve biological problems, including genomics, proteomics, drug discovery, and systems biology. The journal serves as a platform for scientists and researchers to share their advancements in computational biology, fostering interdisciplinary collaboration and innovation in this rapidly evolving field.
Details
Abbr. Comput Biol Chem
Publisher Elsevier
Start 2003
End Continuing
Frequency Bimonthly
p-ISSN 1476-9271
e-ISSN 1476-928X
Country United Kingdom
Language English
Metrics
h-index / Ranks: 5296 68
SJR / Ranks: 8946 497
CiteScore / Ranks: 3428 6.40
JIF / Ranks: 3327 3.1
Recent Articles
1.
Targeting quorum sensing in Pseudomonas aeruginosa with high-affinity inhibitors: A high-throughput screening and in-silico analysis
Abbas S, Mujawar S, Yasmin A, Perveen S, Malik P, Gill M, et al.
Comput Biol Chem . 2025 Mar; 117:108419. PMID: 40088808
Pseudomonas aeruginosa is a major pathogen in clinical settings, notorious for its intrinsic resistance to multiple antibiotics and ability to form biofilms, therefore, complicating treatment. This study reporting the results...
2.
DTI-BGCGCN: A novel bipartite graph-based cluster graph convolutional network for drug-target interaction prediction in modern and traditional chinese medicine
Wang H, Xu M, Guo Z, You G, Wang G, Cao C, et al.
Comput Biol Chem . 2025 Mar; 117:108410. PMID: 40086346
Accurate prediction of Drug-Target Interactions (DTIs) is crucial for drug discovery and development. While current research focuses predominantly on modern medicine, we propose DTI-BGCGCN, a novel predictive model that integrates...
3.
Application of Machine Learning (ML) approach in discovery of novel drug targets against Leishmania: A computational based approach
Shah H, Yasmin S, Ansari M
Comput Biol Chem . 2025 Mar; 117:108423. PMID: 40086345
Molecules with potent anti-leishmanial activity play a crucial role in identifying treatments for leishmaniasis and aiding in the design of novel drugs to combat the disease, ultimately protecting individuals and...
4.
On construction of data preprocessing for real-life SoyLeaf dataset & disease identification using Deep Learning Models
Gudge S, Tiwari A, Ratnaparkhe M, Jha P
Comput Biol Chem . 2025 Mar; 117:108417. PMID: 40086344
The vast volumes of data are needed to train Deep Learning Models from scratch to identify illnesses in soybean leaves. However, there is still a lack of sufficient high-quality samples....
5.
Utilizing neighborhood topological indices for QSPR analysis of clinically approved immunosuppressive drugs in heart transplant therapy
Thamizhmaran R, Kalaimurugan G, Siddiqui M, Vinnarasi L, Yuvaraj A, Hanif M
Comput Biol Chem . 2025 Mar; 117:108414. PMID: 40086343
Heart transplantation is a life-saving transplantation procedure for individuals with advanced heart failure who have gone through all other medicinal options. It is predicted that 5000 heart transplants will be...
6.
Multiple omics-based machine learning reveals specific macrophage sub-clusters in renal ischemia-reperfusion injury and constructs predictive models for transplant outcomes
Wu J, Zhang F, Li Z, Gan L, Cao H, Cao H, et al.
Comput Biol Chem . 2025 Mar; 117:108421. PMID: 40086342
Background: Ischemia-reperfusion injury (IRI) is closely associated with numerous severe postoperative complications, including acute rejection, delayed graft function (DGF) and graft failure. Macrophages are central to modulating the aseptic inflammatory...
7.
Bidirectional Mendelian randomization and colocalization analysis of gut microbiota on lipid profile
Cui Y, Chen Y, Hu M, Zhou H, Guo J, Wang Q, et al.
Comput Biol Chem . 2025 Mar; 117:108422. PMID: 40080991
The gut microbiota plays a crucial role in human health, but its impact on lipid metabolism remains unclear. Understanding the causal relationship between gut bacteria and lipid profiles is essential...
8.
PocketDTA: A pocket-based multimodal deep learning model for drug-target affinity prediction
Xie J, Zhong S, Huang D, Shao W
Comput Biol Chem . 2025 Mar; 117:108416. PMID: 40073710
Drug-target affinity prediction is a fundamental task in the field of drug discovery. Extracting and integrating structural information from proteins effectively is crucial to enhance the accuracy and generalization of...
9.
A novel multi-epitope-based peptide recombinant influenza A vaccine prototype utilizing neuraminidase and hemagglutinin surface proteins: From in silico to preliminary study
Mirzaee M, Hosseini S, Farahmand B, Fotouhi F, Bahramali G
Comput Biol Chem . 2025 Mar; 117:108411. PMID: 40058305
Neuraminidase and hemagglutinin serve as the crucial surface proteins of influenza viruses. Hemagglutinin, as a variable surface protein, is indispensable for vaccine development. Therefore, Neuraminidase must not be overlooked in...
10.
The potential mechanisms by which Xiaoyao Powder may exert therapeutic effects on thyroid cancer were examined at various levels
Lei X, Wang F, Zhang X, Huang J, Huang Y
Comput Biol Chem . 2025 Mar; 117:108412. PMID: 40056710
Background: Thyroid cancer (TC) is the most prevalent endocrine malignancy, with a rising incidence necessitating safer treatment strategies to reduce overtreatment and its side effects. Xiaoyao Powder (XYP), a widely...