{:)} The BigSMILES Project
BigSMILES is an open-source project that aims to lay down necessary infrastructure for polymer informatics. With a series of standards and software, the goal of the BigSMILES project is to provide tools that facilitate the communication between chemists, material scientists, cheminformatics researchers and computer scientists, and ultimately leading to more rapid development data-driven polymer research.
Currently, the BigSMILES project is comprised of three major parts:
- an open standard for the BigSMILES line notation, which is an extension to the popular SMILES, or simplified molecular-input line-entry system, line notation that extends the support of SMILES to general polymeric and macromolecular systems,
- an open data format for reporting polymer characterization accompanying the BigSMILES line notation to specify the physicochemical properties and characterizations of polymeric systems, and
- the open-source software associated with the line notation and data format.