AI Medical Compendium Journal:
Journal of cheminformatics

Showing 1 to 5 of 5 articles

The published role of artificial intelligence in drug discovery and development: a bibliometric and social network analysis from 1990 to 2023.

Journal of cheminformatics
Today, drug discovery and development is one of the fields where Artificial Intelligence (AI) is used extensively. Therefore, this study aims to systematically analyze the scientific literature on the application of AI in drug discovery and developme...

Leveraging AI to explore structural contexts of post-translational modifications in drug binding.

Journal of cheminformatics
Post-translational modifications (PTMs) play a crucial role in allowing cells to expand the functionality of their proteins and adaptively regulate their signaling pathways. Defects in PTMs have been linked to numerous developmental disorders and hum...

Improving chemical disease relation extraction with rich features and weakly labeled data.

Journal of cheminformatics
BACKGROUND: Due to the importance of identifying relations between chemicals and diseases for new drug discovery and improving chemical safety, there has been a growing interest in developing automatic relation extraction systems for capturing these ...

Computational methods for prediction of in vitro effects of new chemical structures.

Journal of cheminformatics
BACKGROUND: With a constant increase in the number of new chemicals synthesized every year, it becomes important to employ the most reliable and fast in silico screening methods to predict their safety and activity profiles. In recent years, in silic...

An ensemble model of QSAR tools for regulatory risk assessment.

Journal of cheminformatics
Quantitative structure activity relationships (QSARs) are theoretical models that relate a quantitative measure of chemical structure to a physical property or a biological effect. QSAR predictions can be used for chemical risk assessment for protect...