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.
|Autori:||C. DUCE; A. MICHELI; SOLARO R; A. STARITA; M. R. TINE'|
|Titolo:||Prediction of polymer properties from their structure by recursive neural networks|
|Anno del prodotto:||2006|
|Digital Object Identifier (DOI):||10.1002/marc.200600026|
|Appare nelle tipologie:||1.1 Articolo in rivista|