Open AccessPolyMaS: A new software to generate high molecular weight polymer macromolecules from repeating structural units
Author(s) -
Santiago Schustik,
Fiorella Cravero,
María Jimena Martínez,
Ignacio Ponzoni,
Mónica F. Díaz
Publication year - 2021
Publication title -
polimery
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.295
H-Index - 26
ISSN - 0032-2725
DOI - 10.14314/polimery.2021.5.2
Subject(s) - macromolecule , polymer , limiting , molar mass , software , materials science , chemistry , computer science , engineering , mechanical engineering , composite material , biochemistry , programming language
The Polymer Maker SMILES-based (PolyMaS) software was used to generate linear macromolecules from the repeating structural units (SRU) of polymers without limiting their length and molar mass. The SRU input is stored in the SMILES code available on the Internet. PolyMaS makes head-tail junctions to the desired length of the macromolecule.