PolyMaS: A new software to generate high molecular weight polymer macromolecules from repeating structural units

Santiago Ariel Schustik; Fiorella  Cravero; Maria Jimena Martinez; Ignacio Ponzoni; Monica Fatima Diaz

doi:10.14314/polimery.2021.5.2

Published : 2021-07-05

Vol. 66 No. 5 (2021)

PolyMaS: A new software to generate high molecular weight polymer macromolecules from repeating structural units

Santiago Ariel Schustik https://orcid.org/0000-0003-1402-7055 Fiorella Cravero https://orcid.org/0000-0002-9816-4147 Maria Jimena Martinez https://orcid.org/0000-0002-0443-5795 Ignacio Ponzoni https://orcid.org/0000-0002-6923-9592 Monica Fatima Diaz https://orcid.org/0000-0002-6680-8067

DOI: https://doi.org/10.14314/polimery.2021.5.2

Abstract

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.

Keywords

computer design of macromolecules projektowanie komputerowe makrocząsteczek

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Schustik, S. A., Cravero, F. ., Martinez, M. J., Ponzoni, I., & Diaz, M. F. (2021). PolyMaS: A new software to generate high molecular weight polymer macromolecules from repeating structural units. Polimery, 66(5), 293-297. https://doi.org/10.14314/polimery.2021.5.2

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