Yehor S. Malets
Published: (Jun/2022)
DOI:
Abstract:
Object way of thinking about structure of organic molecule (functional groups, cycles) is common for professional synthetic chemists. In contrast, atom-level graph-based approaches mostly used for computing. Space, memory consumption and quantity of CPU/GPU cycles could be significantly reduced using next-level object abstractions which lead to another way of linear molecule recording. Perspectives of this concept are discussed.
