AIMC Topic: Drug Discovery

Clear Filters Showing 451 to 460 of 1550 articles

Multitype Perception Method for Drug-Target Interaction Prediction.

IEEE/ACM transactions on computational biology and bioinformatics Dec 25, 2023
With the growing popularity of artificial intelligence in drug discovery, many deep-learning technologies have been used to automatically predict unknown drug-target interactions (DTIs). A unique challenge in using these technologies to predict DTI i...
Artificial Intelligence Drug Discovery Perception Drug Development Drug Interactions
View on PubMed DOI

AIDDISON: Empowering Drug Discovery with AI/ML and CADD Tools in a Secure, Web-Based SaaS Platform.

Journal of chemical information and modeling Dec 22, 2023
The widespread proliferation of artificial intelligence (AI) and machine learning (ML) methods has a profound effect on the drug discovery process. However, many scientists are reluctant to utilize these powerful tools due to the steep learning curve...
Molecular Docking Simulation Machine Learning Artificial Intelligence Drug Discovery Power, Psychological Internet
View on PubMed DOI

Advances in machine intelligence-driven virtual screening approaches for big-data.

Medicinal research reviews Dec 21, 2023
Virtual screening (VS) is an integral and ever-evolving domain of drug discovery framework. The VS is traditionally classified into ligand-based (LB) and structure-based (SB) approaches. Machine intelligence or artificial intelligence has wide applic...
Ligands Algorithms Drug Discovery Humans Artificial Intelligence
View on PubMed DOI

Discovery of a structural class of antibiotics with explainable deep learning.

Nature Dec 20, 2023
The discovery of novel structural classes of antibiotics is urgently needed to address the ongoing antibiotic resistance crisis. Deep learning approaches have aided in exploring chemical spaces; these typically use black box models and do not provide...
Vancomycin-Resistant Enterococci Humans Algorithms Anti-Bacterial Agents Neural Networks, Computer Staphylococcus aureus Disease Models, Animal Skin Staphylococcal Infections Methicillin-Resistant Staphylococcus aureus Deep Learning Animals Microbial Sensitivity Tests Drug Discovery Mice
View on PubMed DOI

Bioactive Molecules from the Innate Immunity of Ascidians and Innovative Methods of Drug Discovery: A Computational Approach Based on Artificial Intelligence.

Marine drugs Dec 20, 2023
The study of bioactive molecules of marine origin has created an important bridge between biological knowledge and its applications in biotechnology and biomedicine. Current studies in different research fields, such as biomedicine, aim to discover m...
Biological Products Urochordata Aquatic Organisms Animals Humans Drug Discovery Artificial Intelligence
View on PubMed DOI

Recent Advances and Challenges in Protein Structure Prediction.

Journal of chemical information and modeling Dec 18, 2023
Artificial intelligence has made significant advances in the field of protein structure prediction in recent years. In particular, DeepMind's end-to-end model, AlphaFold2, has demonstrated the capability to predict three-dimensional structures of num...
Protein Folding Research Design Drug Discovery Artificial Intelligence
View on PubMed DOI

Identifying multi-target drugs for prostate cancer using machine learning-assisted transcriptomic analysis.

Journal of biomolecular structure & dynamics Dec 16, 2023
Prostate cancer is a leading cause of cancer death in men, and the development of effective treatments is of great importance. This study explored to identify the candidate drugs for prostate cancer by transcriptomic data and CMap database analysis. ...
Transcriptome Cell Line, Tumor Gene Expression Regulation, Neoplastic Antineoplastic Agents Gene Expression Profiling Bisoprolol Cell Proliferation Prostatic Neoplasms Humans Male Drug Discovery Machine Learning
View on PubMed DOI

Integrating machine learning and high throughput screening for the discovery of allosteric AKT1 inhibitors.

Journal of biomolecular structure & dynamics Dec 14, 2023
Evidence from clinical and experimental investigations reveals the role of AKT in oral cancer, which has led to the development of therapeutic and pharmacological medications for inhibiting AKT protein. Despite prodigious effort, researchers are sear...
Humans Machine Learning Molecular Dynamics Simulation Protein Binding High-Throughput Screening Assays Proto-Oncogene Proteins c-akt Protein Kinase Inhibitors Molecular Docking Simulation Quantitative Structure-Activity Relationship Allosteric Regulation Drug Discovery
View on PubMed DOI

DeepCompoundNet: enhancing compound-protein interaction prediction with multimodal convolutional neural networks.

Journal of biomolecular structure & dynamics Dec 12, 2023
Virtual screening has emerged as a valuable computational tool for predicting compound-protein interactions, offering a cost-effective and rapid approach to identifying potential candidate drug molecules. Current machine learning-based methods rely o...
Deep Learning Convolutional Neural Networks Protein Binding Computational Biology Neural Networks, Computer Proteins Drug Discovery
View on PubMed DOI

Will the hype of automated drug discovery finally be realized?

Expert opinion on drug discovery Dec 11, 2023
Humans Artificial Intelligence Drug Discovery
View on PubMed DOI
Popular Topics
Recent Journals