Prediction of Properties of Low and High Molecular Weight Compounds


Marketed By :  LAP LAMBERT Academic Publishing   Sold By :  Kamal Books International  
Delivery in :  10-12 Business Days

₹ 5,066

Availability: Out of stock


Delivery :

Product Out of Stock Subscription

(Notify me when this product is back in stock)

  • Product Description

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.

Product Specifications
SKU :COC40642
Country of ManufactureIndia
Product BrandLAP LAMBERT Academic Publishing
Product Packaging InfoBox
In The Box1 Piece
0 Review(s)