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Introduction to machine learning and its application in chemistry

Bibliographic Details
Main Author: Fechner, Nikolas
Format: eBook
Language:English
Published: London Henry Stewart Talks 2011, 2011
Series:Introduction to Cheminformatics : data management, manipulation and properties
Subjects:
Machine Learning
Informatics
Artificial Intelligence
Chemistry
Qsar (biochemistry)
Cheminformatics
Quantitative Structure-activity Relationship
Online Access:
Collection: Henry Stewart Talks - Collection details see MPG.ReNa
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300 |a 1 online resource (1 streaming video file (44 min.)  |b color, sound) 
505 0 |a Data representation in machine learning -- Learning success models -- Overfitting -- Complexity control by design -- Supervised & Unsupervised machine learning -- Quantitative Structure-Activity Relationship (QSAR) -- Molecular descriptors -- A descriptor based QSAR model -- Choosing a learning objective -- Machine learning evaluation -- Clustering -- Distribution estimation -- Virtual screening (VS) -- VS performance estimation 
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653 |a Informatics 
653 |a Artificial Intelligence 
653 |a Chemistry 
653 |a QSAR (Biochemistry) 
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653 |a Quantitative Structure-Activity Relationship 
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