benchmark

Do chemical language models provide a better compound representation?

In recent years, several chemical language models have been developed, inspired by the success of protein language models and advancements in natural language processing. In this study, we explore whether pre-training a chemical language model on …

Improving the assessment of deep learning models in the context of drug-target interaction prediction

Machine Learning techniques have been widely adopted to predict drug-target interactions, a central area of research in early drug discovery. These techniques have shown promising results on various benchmarks although they tend to suffer from poor …