Introduction to machine learning and its application in chemistry [electronic resource] / Nikolas Fechner.
Material type:
FilmSeries: Henry Stewart talksBiomedical & life sciences collection. Introduction to Cheminformatics: Publisher: London : Henry Stewart Talks, 2011Description: 1 online resource (1 streaming video file (44 min.) : color, sound)Subject(s): Cheminformatics | Machine learning | QSAR (Biochemistry) | Artificial Intelligence | Chemistry | Informatics | Quantitative Structure-Activity RelationshipOnline resources: Click here to access online | Series Animated audio-visual presentation with synchronized narration.
Title from title frames.
Contents: 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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Mode of access: World Wide Web.