In Silico Design in Homogeneous Catalysis Using Descriptor Modelling

In Silico Design in Homogeneous Catalysis Using Descriptor Modelling

This review summarises the state-of-the-art methodologies used for designinghomogeneous catalysts and optimising reaction conditions (e.g. choosing the right solvent).We focus on computational techniques that can complement the current advances in high-throughput experimentation, covering the litera...

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Bibliographic Details
Main Authors: Gadi Rothenberg, Enrico Burello
Format: Article
Language:English
Published: MDPI AG 2006-09-01
Series:International Journal of Molecular Sciences
Subjects:
Catalyst Design
Combinatorial Catalysis
QSAR
Artificial Neural Networks
Partial Least Squares Analysis
Data Analysis.
Online Access:http://www.mdpi.com/1422-0067/7/9/375/

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http://www.mdpi.com/1422-0067/7/9/375/

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