We propose a new approach for predicting polymer properties from structured molecular representations based on recursive neural networks. To this aim, a structured representation is designed for the modeling of polymer structures. This representation can also account for average macromolecule characteristics. Preliminarily, this model is applied to the calculation of the Tg of (meth)acrylic polymers with different stereoregularity.

Prediction of polymer properties from their structure by recursive neural networks

DUCE, CELIA;MICHELI, ALESSIO;SOLARO, ROBERTO;STARITA, ANTONINA;TINE', MARIA ROSARIA
2006-01-01

Abstract

We propose a new approach for predicting polymer properties from structured molecular representations based on recursive neural networks. To this aim, a structured representation is designed for the modeling of polymer structures. This representation can also account for average macromolecule characteristics. Preliminarily, this model is applied to the calculation of the Tg of (meth)acrylic polymers with different stereoregularity.
2006
Duce, Celia; Micheli, Alessio; Solaro, Roberto; Starita, Antonina; Tine', MARIA ROSARIA
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11568/180434
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