ABSTRACT
Chemistry underpins many areas of emerging science, such as materials chemistry, chemical biology, medicinal chemistry, nanotechnology and physical chemistry. The nonlinear and complex nature of chemistry requires deep acquired knowledge, creativity, years of hands-on experience and ‘human chemical intuition’ to create impactful research. Chemists invest a lot of time, intelligence, manual effort and chemical expenditures for results that cannot be predicted by human chemical intuition alone. In this scenario, artificial intelligence (AI) provides powerful methods to solve many complex problems in chemistry in a more predictable, reproducible and nonbiased manner. AI algorithms with improved computing power seek to serve synthetic chemists in all possible aspects. This chapter aims to demystify AI for chemists, so that they employ AI methods for more impactful research, rather than getting intimidated by the emerging technology, assuming it to be a competitor. Besides highlighting the developments in AI methods for chemists (researchers), this chapter also gives a perspective on the gaps that currently exist in the field, addressing which would lead to much more efficient development in the field of chemistry.
