AIMC Topic: Drug Discovery
Clear Filters Showing 311 to 320 of 1504 articles
Topological regression as an interpretable and efficient tool for quantitative structure-activity relationship modeling.
Nature communications
Jun 13, 2024
Quantitative structure-activity relationship (QSAR) modeling is a powerful tool for drug discovery, yet the lack of interpretability of commonly used QSAR models hinders their application in molecular design. We propose a similarity-based regression ...
Synthetically Feasible De Novo Molecular Design of Leads Based on a Reinforcement Learning Model: AI-Assisted Discovery of an Anti-IBD Lead Targeting CXCR4.
Journal of medicinal chemistry
Jun 12, 2024
Artificial intelligence (AI) de novo molecular generation provides leads with novel structures for drug discovery. However, the target affinity and synthesizability of the generated molecules present critical challenges for the successful application...
Deep-learning-enabled antibiotic discovery through molecular de-extinction.
Nature biomedical engineering
Jun 11, 2024
Molecular de-extinction aims at resurrecting molecules to solve antibiotic resistance and other present-day biological and biomedical problems. Here we show that deep learning can be used to mine the proteomes of all available extinct organisms for t...
Machine learning in infectious diseases: potential applications and limitations.
Annals of medicine
Jun 10, 2024
Infectious diseases are a major threat for human and animal health worldwide. Artificial Intelligence (AI) combined algorithms including Machine Learning and Big Data analytics have emerged as a potential solution to analyse diverse datasets and face...
Accelerating Molecular Docking using Machine Learning Methods.
Molecular informatics
Jun 8, 2024
Virtual screening (VS) is one of the well-established approaches in drug discovery which speeds up the search for a bioactive molecule and, reduces costs and efforts associated with experiments. VS helps to narrow down the search space of chemical sp...
Advances in artificial intelligence for drug delivery and development: A comprehensive review.
Computers in biology and medicine
Jun 7, 2024
Artificial intelligence (AI) has emerged as a powerful tool to revolutionize the healthcare sector, including drug delivery and development. This review explores the current and future applications of AI in the pharmaceutical industry, focusing on dr...
Discovery of a Novel and Potent LCK Inhibitor for Leukemia Treatment via Deep Learning and Molecular Docking.
Journal of chemical information and modeling
Jun 7, 2024
The lymphocyte-specific protein tyrosine kinase (LCK) plays a crucial role in both T-cell development and activation. Dysregulation of LCK signaling has been demonstrated to drive the oncogenesis of T-cell acute lymphoblastic leukemia (T-ALL), thus p...
The Millennia-Long Development of Drugs Associated with the 80-Year-Old Artificial Intelligence Story: The Therapeutic Big Bang?
Molecules (Basel, Switzerland)
Jun 7, 2024
The journey of drug discovery (DD) has evolved from ancient practices to modern technology-driven approaches, with Artificial Intelligence (AI) emerging as a pivotal force in streamlining and accelerating the process. Despite the vital importance of ...
Synergistic Machine Learning Accelerated Discovery of Nanoporous Inorganic Crystals as Non-Absorbable Oral Drugs.
Advanced materials (Deerfield Beach, Fla.)
Jun 6, 2024
Machine learning (ML) has taken drug discovery to new heights, where effective ML training requires vast quantities of high-quality experimental data as input. Non-absorbable oral drugs (NODs) have unique safety advantage for chronic diseases due to ...
TumFlow: An AI Model for Predicting New Anticancer Molecules.
International journal of molecular sciences
Jun 4, 2024
Melanoma is the fifth most common cancer in the United States. Conventional drug discovery methods are inherently time-consuming and costly, which imposes significant limitations. However, the advent of Artificial Intelligence (AI) has opened up new ...
Stay Ahead of Medical AI
Join thousands of healthcare professionals staying informed about the latest AI breakthroughs in medicine. Get curated insights delivered to your inbox.
Subscribe NowPopular Topics
- Machine Learning 31088
- Neural Networks, Computer 29743
- Algorithms 26874
- Deep Learning 26387
- Artificial Intelligence 24329
- Robotics 13315
- Image Processing, Computer-Assisted 9536
- Retrospective Studies 9125
- Magnetic Resonance Imaging 6192
- Reproducibility of Results 5600
- Tomography, X-Ray Computed 4772
- Support Vector Machine 4692
- Computational Biology 4243
- Brain 4053
- Computer Simulation 3885
Recent Journals
- Scientific reports 6015
- Sensors (Basel, Switzerland) 4794
- PloS one 4029
- Neural networks : the official journal of the International Neural Network Society 2930
- Computational intelligence and neuroscience 1931
- Computers in biology and medicine 1864
- Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference 1686
- Studies in health technology and informatics 1278
- IEEE journal of biomedical and health informatics 1133
- Journal of chemical information and modeling 1003
- Nature communications 952
- Computer methods and programs in biomedicine 883
- Bioinformatics (Oxford, England) 862
- Briefings in bioinformatics 853
- IEEE transactions on neural networks and learning systems 828