AIMC Topic: Antineoplastic Agents

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Machine learning-driven insights into retention mechanism in IAM chromatography of anticancer sulfonamides: Implications for biological efficacy.

Journal of chromatography. A
Machine learning (ML) tools offer new opportunities in drug discovery, especially for enhancing our understanding of molecular interactions with biological systems. This study develops a comprehensive quantitative structure-retention relationship (QS...

Structure-based artificial intelligence-aided design of MYC-targeting degradation drugs for cancer therapy.

Biochemical and biophysical research communications
The MYC protein is an oncoprotein that plays a crucial role in various cancers. Although its significance has been well recognized in research, the development of drugs targeting MYC remains relatively slow. In this study, we developed a novel MYC pe...

Prediction of bacterial and fungal bloodstream infections using machine learning in patients undergoing chemotherapy.

European journal of cancer (Oxford, England : 1990)
PURPOSE: This study aimed to develop a machine learning (ML) model to predict bloodstream infection (BSI) in chemotherapy patients.

Nanotechnology-Enhanced siRNA Delivery: Revolutionizing Cancer Therapy.

ACS applied bio materials
RNA interference (RNAi) has emerged as a transformative approach for cancer therapy, enabling precise gene silencing through small interfering RNA (siRNA). However, the clinical application of siRNA-based treatments faces challenges such as rapid deg...

SMVSNN: An Intelligent Framework for Anticancer Drug-Drug Interaction Prediction Utilizing Spiking Multi-view Siamese Neural Networks.

Journal of chemical information and modeling
The study of synergistic drug combinations is vital in cancer treatment, enhancing efficacy, reducing resistance, and minimizing side effects through complementary drug actions. Drug-drug interaction (DDI) analysis offers essential theoretical suppor...

Machine learning-based bioactivity prediction of porphyrin derivatives: molecular descriptors, clustering, and model evaluation.

Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Understanding the relationship between molecular structure and bioactivity is crucial for optimizing porphyrin-based therapeutics. By integrating cheminformatics techniques with machine learning models, our work enables the efficient classification o...

Drug-Drug interactions and special considerations in breast cancer patients treated with CDK4/6 inhibitors: A comprehensive review.

Cancer treatment reviews
Cyclin-dependent kinase 4/6 inhibitors (CDK4/6i) have reshaped the treatment paradigm of hormone receptor positive (HR + )/HER2-negative breast cancer in both adjuvant and metastatic settings. However, their metabolism via the cytochrome P450 (CYP3A4...

Molecular glue meets antibody: next-generation antibody-drug conjugates.

Trends in pharmacological sciences
Antibody-drug conjugates (ADCs) have revolutionized oncology by enabling the delivery of cytotoxic agents. However, persistent limitations in payload diversity and emerging drug-resistance mechanisms have spurred investigations into innovative payloa...

Integrating bulk RNA-seq and scRNA-seq analyses with machine learning to predict platinum response and prognosis in ovarian cancer.

Scientific reports
Platinum-based therapy is an integral part of the standard treatment for ovarian cancer. However, despite extensive research spanning several decades, the identification of dependable predictive biomarkers for platinum response in clinical practice h...

Intelligent deep learning model for targeted cancer drug delivery.

Scientific reports
Nanotechnology and information communication technology (ICT) are being combined to develop innovative drug delivery systems for targeted sites, such as tumor cells. The particulate targeted drug delivery (PTDD) system involves drugs containing nanop...