𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Modeling of molecular atomization energies using machine learning

✍ Scribed by Matthias Rupp; Alexandre Tkatchenko; Klaus-Robert Müller; O Anatole von Lilienfeld


Book ID
115027630
Publisher
BioMed Central
Year
2012
Tongue
English
Weight
71 KB
Volume
4
Category
Article
ISSN
1758-2946

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Theory of molecular machines. II. Energy
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Single molecules perform a variety of tasks in cells, from replicating, controlling and translating the genetic material to sensing the outside environment. These operations all require that specific actions take place. In a sense, each molecule must make tiny decisions. To make a decision, each "mo