Will artificial intelligence (AI) replace chemists?

AI is one of the most rapidly developing technologies invented by humans, with a significant impact on science and technology. Chemical science has also been strongly influenced, witnessing unprecedented acceleration in various research fields (1, 2, 3, 4). The connection with robotics and automation is considered a prelude to an artificial intelligence laboratory and the autonomous synthesis of organic molecules (5, 6, 7). Structure elucidation is a long-term goal (8), where important steps, for example, include analyzing and interpreting microscopy (9) and spectroscopy data (10) with machine learning in real-time experimentation and proceeding to a 4D description of chemical phenomena (11).

However, it should be noted that AI is still far from being able to replace humans in laboratories. Synthetic chemists undergo extensive education and training to become “all in one” professionals. This training covers designing experiments, running optimizations, synthesis and separations, spectroscopy and analysis, purification and the effects of trace impurities, batch-to-batch variations of chemicals, and serendipity discovery, among many other areas. Most importantly, they are trained to find solutions when known knowledge and hints do not work. In many of these stages, AI has already become a valuable assistive technology. However, it is too early to expect a standalone AI, without human supervision, to synthesize a wide range of organic molecules with ease of use and acceptable running costs (12). Despite impressive progress, it is premature to think that computer-aided synthesis has solved all challenges (2).