Experimental biology and medicine (Maywood, N.J.)
Dec 7, 2023
Early de-risking of drug targets and chemistry is essential to provide drug projects with the best chance of success. Target safety assessments (TSAs) use target biology, gene and protein expression data, genetic information from humans and animals, ...
CPT: pharmacometrics & systems pharmacology
Dec 5, 2023
Despite attempts to control the spread of human immunodeficiency virus (HIV) through the use of anti-HIV medications, the absence of an effective vaccine continues to present a significant obstacle. In addition, the development of drug resistance by ...
IEEE journal of biomedical and health informatics
Dec 5, 2023
Accurately predicting drug-target binding affinity plays a vital role in accelerating drug discovery. Many computational approaches have been proposed due to costly and time-consuming of wet laboratory experiments. In the input representation, most m...
Journal of chemical information and modeling
Nov 22, 2023
Molecular generation is crucial for advancing drug discovery, materials science, and chemical exploration. It expedites the search for new drug candidates, facilitates tailored material creation, and enhances our understanding of molecular diversity....
Drug repurposing is an exciting field of research toward recognizing a new FDA-approved drug target for the treatment of a specific disease. It has received extensive attention regarding the tedious, time-consuming, and highly expensive procedure wit...
Learning effective molecular feature representation to facilitate molecular property prediction is of great significance for drug discovery. Recently, there has been a surge of interest in pre-training graph neural networks (GNNs) via self-supervised...
Autoencoders are versatile tools in molecular informatics. These unsupervised neural networks serve diverse tasks such as data-driven molecular representation and constructive molecular design. This Review explores their algorithmic foundations and a...
The recent and extraordinary increase in computer power, along with the availability of efficient algorithms based on artificial intelligence, has prompted a large number of inexperienced scientists to challenge the complex and yet competitive world ...
The field of bioimage analysis is currently impacted by a profound transformation, driven by the advancements in imaging technologies and artificial intelligence. The emergence of multi-modal AI systems could allow extracting and utilizing knowledge ...
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