Janet, Jon Paul,
Machine learning in chemistry / Jon Paul Janet & Heather J. Kulik. - 1 online resource : illustrations (some color). - ACS in focus, 2691-8307 . - ACS in focus. .
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.
9780841299009
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 Modeling.
QD39.3.E46 / J36 2020
542/.85
QD 39.3.E46 / J33 2020
Machine learning in chemistry / Jon Paul Janet & Heather J. Kulik. - 1 online resource : illustrations (some color). - ACS in focus, 2691-8307 . - ACS in focus. .
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.
9780841299009
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 Modeling.
QD39.3.E46 / J36 2020
542/.85
QD 39.3.E46 / J33 2020