Drug research relies heavily on Artificial Intelligence (AI). Artificial neural networks, such as deep neural networks and recurrent networks, are very important in this field. Numerous applications in property or activity predictions, such as physicochemical and ADMET characteristics, have lately emerged, demonstrating the technology's strength in Quantitative Structure-Property Relationships (QSPR) and Quantitative Structure-Activity Relationships (QSAR) (QSAR). De novo design uses artificial intelligence to guide the creation of new biologically active molecules that have the desired features. Artificial intelligence's strength in this subject is demonstrated by several cases. Combining synthesis planning and ease of synthesis is possible, and computer-aided drug discovery is predicted to become more common in the near future.
