Medicinal Chemists versus Machines Challenge: What Will It Take to Adopt and Advance Artificial Intelligence for Drug Discovery?
Alex A. Zhavoronkov · Journal of Chemical Information and Modeling · 2020
The field of artificial intelligence (AI) for generative chemistry is reaching the maturity stage, shifting the focus from the novelty of the algorithms to the quality of the generated molecules. To ensure continued evolution of AI technologies, we propose a series of challenges of increasing complexity by comparing and combining the machine and human intelligence in medicinal chemistry.