Machine learning in chemistry / Jon Paul Janet & Heather J. Kulik.
By: Janet, Jon Paul [author.]
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Contributor(s): Kulik, Heather J. Massachusetts Institute of Technology [author.] | American Chemical Society [issuing body.].
Material type: 
BookSeries: ACS in focus: Publisher: Washington, DC, USA : American Chemical Society, 2020Description: 1 online resource : illustrations (some color).Content type: text Media type: computer Carrier type: online resourceISBN: 9780841299009.Subject(s): Machine learning | Chemisty -- Computer programs | Supervised learning (Machine learning) | Chemistry -- Computer simulation | Machine theory | Artificial intelligence | Linear models (Statistics) | Kernel functions -- Computer programs | Trees (Graph theory) -- Computer programs | Chemistry -- Molecular aspects -- Computer programs | Neural networks (Computer science) | Computational Chemistry | Machine Learning | Supervised Machine Learning | Computer Simulation | Artificial Intelligence | Linear Models | Neural Networks, Computer | COMPUTERS / Data Science / Machine Learning | SCIENCE / Chemistry / Computational & Molecular ModelingDDC classification: 542/.85 Other classification: COM094000 | SCI013070 Online resources: ACS Includes bibliographical references and index.
Advancing Research through Machine Learning -- Supervised Machine Learning for the Chemical Sciences -- Linear Models, Kernels, and Trees -- Representations of Atomistic Systems -- Neural Networks and Learned Representations -- Applying Machine Learning Models in Chemistry.
Description based on publisher-supplied information and home-page.
American Chemical Society, ACS In Focus eBooks - 2020 Front Files.
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