Journal of chemical information and modeling
Dec 30, 2025
Combination therapy is a method of treating complex diseases by using multiple drugs, which has the advantages of good efficacy and few toxic side effects. It has been widely used in clinical research. The significant increase in the number of drug c...
Journal of chemical information and modeling
Oct 10, 2025
Effective anticancer drug combinations are crucial for advancing cancer treatment, yet predicting drug synergy remains challenging due to the complexity of biological interactions. Existing methods struggle to integrate multimodal features and to mod...
Computational drug repurposing is vital in drug discovery research because it significantly reduces both the cost and time involved in the drug development process. Additionally, combination therapy-using more than one drug for treatment-can enhance ...
Bone cancer pain (BCP) is a complex condition that severely affects patients' quality of life, and its treatment remains challenging. Astaxanthin, a potent antioxidant with anti-inflammatory and neuroprotective effects, and celecoxib, a selective COX...
Journal of chemical information and modeling
Sep 16, 2025
Combination therapy presents a transformative approach to treating complex diseases such as cancer by mitigating toxicity and resistance challenges inherent to monotherapy. A critical gap in current computational methods, however, lies in their inabi...
Colorectal cancer (CRC) treatment remains challenging due to genetic heterogeneity and resistance mechanisms. To address this, we developed a drug discovery pipeline using patient-derived primary CRC cultures with diverse genomic profiles. These cult...
Combination therapies enhance the therapeutic effect of cancer treatment; however, identifying effective interdependent doses, durations, and sequences of multidrug administration regimens is a time- and labor-intensive task. Here, we integrated mach...
BACKGROUND: Accurately predicting synergistic drug combinations is critical for complex disease therapy. However, the vast search space of potential drug combinations poses significant challenges for identification through biological experiments alon...
Breast cancer is a complex and challenging disease to treat, and despite progress in combating it, drug resistance remains a significant hindrance. Drug combinations have shown promising results in improving therapeutic outcomes, and many machine lea...
A paradigm of chemical risk assessment is continuously extending from focusing on 'single substances' to more comprehensive approaches that examines the combined toxicity among different components in 'mixtures.' This change aims to account for the c...
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