Recent advancements in artificial intelligence and automation are transforming catalyst
discovery and design from traditional trial-and-error manual mode into intelligent, high …

Transformer models have emerged as pivotal tools within the realm of drug discovery,
distinguished by their unique architectural features and exceptional performance in …

The number of publications describing chemical structures has increased steadily over the
last decades. However, the majority of published chemical information is currently not …

Recent years have seen a sharp increase in the development of deep learning and artificial
intelligence-based molecular informatics. There has been a growing interest in applying …

Accurate recognition of hand-drawn chemical structures is crucial for digitising hand-written
chemical information in traditional laboratory notebooks or facilitating stylus-based structure …

Chemical molecular structures are a direct and convenient means of expressing chemical
knowledge, playing a vital role in academic communication. In chemistry, hand drawing is a …

The development of new polymer materials is an emerging field for more than 100 years.
However, it is currently facing major challenges and the application of digital methods can …

Pedigree charts remain essential in oncological genetic counseling for identifying
individuals with an increased risk of developing hereditary tumors. However, this valuable …

Great progress has been made using artificial intelligence (AI) techniques in learning
knowledge from biomedical databases in recent years, revolutionizing the study of many …

This article highlights how chemoinformatics and big data analytics transformed chemical
research. Chemical data storage, retrieval, analysis, and visualisation are being transformed …