AIMC Topic: Drug Discovery
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Recent advances in generative biology for biotherapeutic discovery.
Trends in pharmacological sciences
Feb 19, 2024
Generative biology combines artificial intelligence (AI), advanced life sciences technologies, and automation to revolutionize the process of designing novel biomolecules with prescribed properties, giving drug discoverers the ability to escape the l...
Machine Learning Empowering Drug Discovery: Applications, Opportunities and Challenges.
Molecules (Basel, Switzerland)
Feb 18, 2024
Drug discovery plays a critical role in advancing human health by developing new medications and treatments to combat diseases. How to accelerate the pace and reduce the costs of new drug discovery has long been a key concern for the pharmaceutical i...
graphLambda: Fusion Graph Neural Networks for Binding Affinity Prediction.
Journal of chemical information and modeling
Feb 17, 2024
Predicting the binding affinity of protein-ligand complexes is crucial for computer-aided drug discovery (CADD) and the identification of potential drug candidates. The deep learning-based scoring functions have emerged as promising predictors of bin...
Revolutionizing pharmacokinetics: the dawn of AI-powered analysis.
Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques
Feb 16, 2024
This editorial explores how artificial intelligence (AI) is revolutionizing the science of pharmacokinetics (PK). It discusses the challenges of conventional PK analysis and how AI has transformed this area. It highlights the promise of artificial in...
Image2InChI: Automated Molecular Optical Image Recognition.
Journal of chemical information and modeling
Feb 15, 2024
The accurate identification and analysis of chemical structures in molecular images are prerequisites of artificial intelligence for drug discovery. It is important to efficiently and automatically convert molecular images into machine-readable repre...
Deep reinforcement learning enables better bias control in benchmark for virtual screening.
Computers in biology and medicine
Feb 15, 2024
Virtual screening (VS) has been incorporated into the paradigm of modern drug discovery. This field is now undergoing a new wave of revolution driven by artificial intelligence and more specifically, machine learning (ML). In terms of those out-of-th...
Artificial intelligence for drug discovery and development in Alzheimer's disease.
Current opinion in structural biology
Feb 8, 2024
The complex molecular mechanism and pathophysiology of Alzheimer's disease (AD) limits the development of effective therapeutics or prevention strategies. Artificial Intelligence (AI)-guided drug discovery combined with genetics/multi-omics (genomics...
Recent applications of artificial intelligence in RNA-targeted small molecule drug discovery.
Expert opinion on drug discovery
Feb 6, 2024
INTRODUCTION: Targeting RNAs with small molecules offers an alternative to the conventional protein-targeted drug discovery and can potentially address unmet and emerging medical needs. The recent rise of interest in the strategy has already resulted...
Potential of Artificial Intelligence to Accelerate Drug Development for Rare Diseases.
Pharmaceutical medicine
Feb 5, 2024
The growth in breadth and depth of artificial intelligence (AI) applications has been fast, running hand in hand with the increasing amount of digital data available. Here, we comment on the application of AI in the field of drug development, with a ...
SMGCN: Multiple Similarity and Multiple Kernel Fusion Based Graph Convolutional Neural Network for Drug-Target Interactions Prediction.
IEEE/ACM transactions on computational biology and bioinformatics
Feb 5, 2024
Accurately identifying potential drug-target interactions (DTIs) is a critical step in accelerating drug discovery. Despite many studies that have been conducted over the past decades, detecting DTIs remains a highly challenging and complicated proce...
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