Finding new drugs usually consists of five main stages: 1) a pre-discovery stage in which
basic research is performed to try to understand the mechanisms leading to diseases and …

The discovery of molecular structures with desired properties for applications in drug
discovery, crop protection, or chemical biology is among the most impactful scientific …

Utilizing artificial intelligence (AI) in drug design represents an advanced approach for
identifying targets and developing new drugs. Integrating AI techniques significantly reduces …

Artificial intelligence (AI) is poised to transform therapeutic science. Therapeutics Data
Commons is an initiative to access and evaluate AI capability across therapeutic modalities …

Development of a new dug is a very lengthy and highly expensive process since only
preclinical, pharmacokinetic, pharmacodynamic and toxicological studies include a multiple …

Drug discovery and development affects various aspects of human health and dramatically
impacts the pharmaceutical market. However, investments in a new drug often go …

Highlights•We review machine learning methods/tools relevant to ligand-based virtual
screening.•Machine learning methods classify compounds and predict new active …

Highlights•This review re-explores the comparison between phenotypic and target-based
drug discovery and outlines how machine learning (ML) can assist the former at the forefront …

The discovery paradigm of drugs is rapidly growing due to advances in machine learning
(ML) and artificial intelligence (AI). This review covers myriad faces of AI and ML in drug …

Artificial intelligence (AI) has the potential to revolutionize the drug discovery process,
offering improved efficiency, accuracy, and speed. However, the successful application of AI …