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JOURNAL ARTICLE
REVIEW
Quantum Machine Learning in Chemical Compound Space.
Angewandte Chemie 2018 April 10
Rather than numerically solving the computationally demanding equations of quantum or statistical mechanics, machine learning methods can infer approximate solutions, interpolating previously acquired property data sets of molecules and materials. The case is made for quantum machine learning: An inductive molecular modeling approach which can be applied to quantum chemistry problems.
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