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Prediction of Properties of Low and High Molecular Weight Compounds - Carlo Giuseppe Bertinetto
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2012, ISBN: 9783659271090

ID: 692314044

This work describes and discusses an innovative approach for the prediction of physical, chemical and biological properties of compounds, ranging from small molecules to large polymers. It is based on the direct and adaptive treatment of molecular structure by means of a Recursive Neural Network (RNN) to derive Quantitative Structure-Property/Activity Relationships (QSPR/QSARs). Chemical compounds are represented through appropriate graphical tools that bypass the need for numerical descriptors. The capabilities of this methodology are investigated by applying it to different predictive problems: the melting point of ionic liquids, the glass transition temperature of polymers and the toxicity of organic molecules. The results show that the graphical molecular representation was able to effectively model each case, providing accurate predictions using practically no background knowledge. The proposed structure-based RNN approach, it is argued, can provide a simple and general prediction method with great potential in molecular design, toxicology and evaluation of other complex properties. A Structure-Based QSAR/QSPR Approach Using Recursive Neural Networks Bücher > Fremdsprachige Bücher > Englische Bücher Taschenbuch 30.11.2012, LAP Lambert Academic Publishing, .201

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Prediction of Properties of Low and High Molecular Weight Compounds - Carlo Giuseppe Bertinetto
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Carlo Giuseppe Bertinetto:

Prediction of Properties of Low and High Molecular Weight Compounds - neues Buch

ISBN: 9783659271090

ID: 2f8babc638ffd52fdbf35d45c735ecc0

A Structure-Based QSAR/QSPR Approach Using Recursive Neural Networks This work describes and discusses an innovative approach for the prediction of physical, chemical and biological properties of compounds, ranging from small molecules to large polymers. It is based on the direct and adaptive treatment of molecular structure by means of a Recursive Neural Network (RNN) to derive Quantitative Structure-Property/Activity Relationships (QSPR/QSARs). Chemical compounds are represented through appropriate graphical tools that bypass the need for numerical descriptors. The capabilities of this methodology are investigated by applying it to different predictive problems: the melting point of ionic liquids, the glass transition temperature of polymers and the toxicity of organic molecules. The results show that the graphical molecular representation was able to effectively model each case, providing accurate predictions using practically no background knowledge. The proposed structure-based RNN approach, it is argued, can provide a simple and general prediction method with great potential in molecular design, toxicology and evaluation of other complex properties. Bücher / Fremdsprachige Bücher / Englische Bücher 978-3-659-27109-0, LAP Lambert Academic Publishing

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Prediction of Properties of Low and High Molecular Weight Compounds - Carlo Giuseppe Bertinetto
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Carlo Giuseppe Bertinetto:
Prediction of Properties of Low and High Molecular Weight Compounds - Taschenbuch

2012

ISBN: 3659271098

ID: 10409378217

[EAN: 9783659271090], Neubuch, [PU: LAP Lambert Academic Publishing Nov 2012], This item is printed on demand - Print on Demand Titel. Neuware - This work describes and discusses an innovative approach for the prediction of physical, chemical and biological properties of compounds, ranging from small molecules to large polymers. It is based on the direct and adaptive treatment of molecular structure by means of a Recursive Neural Network (RNN) to derive Quantitative Structure-Property/Activity Relationships (QSPR/QSARs). Chemical compounds are represented through appropriate graphical tools that bypass the need for numerical descriptors. The capabilities of this methodology are investigated by applying it to different predictive problems: the melting point of ionic liquids, the glass transition temperature of polymers and the toxicity of organic molecules. The results show that the graphical molecular representation was able to effectively model each case, providing accurate predictions using practically no background knowledge. The proposed structure-based RNN approach, it is argued, can provide a simple and general prediction method with great potential in molecular design, toxicology and evaluation of other complex properties. 192 pp. Englisch

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Prediction of Properties of Low and High Molecular Weight Compounds - Carlo Giuseppe Bertinetto
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Carlo Giuseppe Bertinetto:
Prediction of Properties of Low and High Molecular Weight Compounds - neues Buch

ISBN: 9783659271090

ID: 137343689

This work describes and discusses an innovative approach for the prediction of physical, chemical and biological properties of compounds, ranging from small molecules to large polymers. It is based on the direct and adaptive treatment of molecular structure by means of a Recursive Neural Network (RNN) to derive Quantitative Structure-Property/Activity Relationships (QSPR/QSARs). Chemical compounds are represented through appropriate graphical tools that bypass the need for numerical descriptors. The capabilities of this methodology are investigated by applying it to different predictive problems: the melting point of ionic liquids, the glass transition temperature of polymers and the toxicity of organic molecules. The results show that the graphical molecular representation was able to effectively model each case, providing accurate predictions using practically no background knowledge. The proposed structure-based RNN approach, it is argued, can provide a simple and general prediction method with great potential in molecular design, toxicology and evaluation of other complex properties. A Structure-Based QSAR/QSPR Approach Using Recursive Neural Networks Buch (fremdspr.) Bücher>Fremdsprachige Bücher>Englische Bücher, LAP Lambert Academic Publishing

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Prediction of Properties of Low and High Molecular Weight Compounds - Bertinetto Carlo Giuseppe
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Prediction of Properties of Low and High Molecular Weight Compounds - neues Buch

ISBN: 9783659271090

Bertinetto Carlo Giuseppe,Paperback, English-language edition,Pub by AV Akademikerverlag GmbH & Co. KG. Books Books ~~ Science~~ Chemistry ~~ Physical & Theoretical Prediction-of-Properties-of-Low-and-High-Molecular-Weight-Compounds~~Bertinetto-Carlo-Giuseppe AV Akademikerverlag GmbH & Co. KG.

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Prediction of Properties of Low and High Molecular Weight Compounds
Autor:

Bertinetto Carlo Giuseppe

Titel:

Prediction of Properties of Low and High Molecular Weight Compounds

ISBN-Nummer:

9783659271090

Detailangaben zum Buch - Prediction of Properties of Low and High Molecular Weight Compounds


EAN (ISBN-13): 9783659271090
ISBN (ISBN-10): 3659271098
Taschenbuch
Erscheinungsjahr: 2012
Herausgeber: AV Akademikerverlag GmbH & Co. KG.

Buch in der Datenbank seit 10.10.2014 09:29:06
Buch zuletzt gefunden am 22.09.2016 05:57:27
ISBN/EAN: 9783659271090

ISBN - alternative Schreibweisen:
3-659-27109-8, 978-3-659-27109-0

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