Chemical Multiverse: An Expanded View of Chemical Space.

ABSTRACT: Technological advances and practical applications of the chemical space concept in drug discovery, natural product research, and other research areas have attracted the scientific community's attention. The large- and ultra-large chemical spaces are associated with the significant increase in the number of compounds that can potentially be made and exist and the increasing number of experimental and calculated descriptors, that are emerging that encode the molecular structure and/or property aspects of the molecules. Due to the importance and continued evolution of compound libraries, herein, we discuss definitions proposed in the literature for chemical space and emphasize the convenience, discussed in the literature to use complementary descriptors to obtain a comprehensive view of the c

SUBMITTER: Medina-Franco JL 

PROVIDER: S-EPMC9787733 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature