AIMC Topic: Drug Discovery

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CGPDTA: An Explainable Transfer Learning-Based Predictor With Molecule Substructure Graph for Drug-Target Binding Affinity.

Journal of computational chemistry
Identifying interactions between drugs and targets is crucial for drug discovery and development. Nevertheless, the determination of drug-target binding affinities (DTAs) through traditional experimental methods is a time-consuming process. Conventio...

AI in fungal drug development: opportunities, challenges, and future outlook.

Frontiers in cellular and infection microbiology
The application of artificial intelligence (AI) in fungal drug development offers innovative strategies to address the escalating threat of fungal infections and the challenge of antifungal resistance. This review evaluates the current landscape of f...

Explainable Artificial Intelligence in the Field of Drug Research.

Drug design, development and therapy
In recent years, the widespread use of artificial intelligence (AI) and big data technologies in drug research has significantly accelerated the drug development process. However, their black-box nature makes it challenging to evaluate their effectiv...

[The role of vendors in the democratization of AI-challenges and collaboration in the application of image analysis technology to drug discovery processes].

Nihon yakurigaku zasshi. Folia pharmacologica Japonica
We are living in an era in which AI technology has become widely available and accessible to many people. The field of drug discovery is no exception, and many pharmaceutical companies have actually begun to utilize AI technology in drug discovery re...

[Development of drug discovery support system using chemoinformatics and generative AI technology].

Nihon yakurigaku zasshi. Folia pharmacologica Japonica
In recent years, the rapid development of generative AI has given rise to a variety of services such as machine translation, sentence summarization, and programming code generation. In drug discovery, generative AI and chemoinformatics have been used...

Role of Artificial Intelligence in Drug Discovery to Revolutionize the Pharmaceutical Industry: Resources, Methods and Applications.

Recent patents on biotechnology
Traditional drug discovery methods such as wet-lab testing, validations, and synthetic techniques are time-consuming and expensive. Artificial Intelligence (AI) approaches have progressed to the point where they can have a significant impact on the d...

Integrating Model-Informed Drug Development With AI: A Synergistic Approach to Accelerating Pharmaceutical Innovation.

Clinical and translational science
The pharmaceutical industry constantly strives to improve drug development processes to reduce costs, increase efficiencies, and enhance therapeutic outcomes for patients. Model-Informed Drug Development (MIDD) uses mathematical models to simulate in...

AI Methods for Antimicrobial Peptides: Progress and Challenges.

Microbial biotechnology
Antimicrobial peptides (AMPs) are promising candidates to combat multidrug-resistant pathogens. However, the high cost of extensive wet-lab screening has made AI methods for identifying and designing AMPs increasingly important, with machine learning...

Trends of Artificial Intelligence (AI) Use in Drug Targets, Discovery and Development: Current Status and Future Perspectives.

Current drug targets
The applications of artificial intelligence (AI) in pharmaceutical sectors have advanced drug discovery and development methods. AI has been applied in virtual drug design, molecule synthesis, advanced research, various screening methods, and decisio...

ML-based Models as a Strategy to Discover Novel Antiepileptic Drugs Targeting Sodium Receptor Channel.

Current topics in medicinal chemistry
BACKGROUND: Epilepsy remains the most common and chronic disorder demanding longterm management. The impact of epilepsy disease is a cause of great concern and has resulted in efforts to develop treatment for epilepsy. It occurs due to an increase in...