Many Molecular Properties from One Kernel in Chemical Space by Raghunathan Ramakrishnan, O. Anatole von Lilienfeld

Get full text

Alchemical perturbation density functional theory by Guido Falk von Rudorff, O. Anatole von Lilienfeld

Get full text

Encrypted machine learning of molecular quantum properties by Jan Weinreich, Guido Falk von Rudorff, O Anatole von Lilienfeld

Get full text

Autonomous data extraction from peer reviewed literature for training machine learning models of oxidation potentials by Siwoo Lee, Stefan Heinen, Danish Khan, O Anatole von Lilienfeld

Get full text

Improved decision making with similarity based machine learning: applications in chemistry by Dominik Lemm, Guido Falk von Rudorff, O Anatole von Lilienfeld

Get full text

Machine learning of molecular electronic properties in chemical compound space by Grégoire Montavon, Matthias Rupp, Vivekanand Gobre, Alvaro Vazquez-Mayagoitia, Katja Hansen, Alexandre Tkatchenko, Klaus-Robert Müller, O Anatole von Lilienfeld

Get full text

Reducing training data needs with minimal multilevel machine learning (M3L) by Stefan Heinen, Danish Khan, Guido Falk von Rudorff, Konstantin Karandashev, Daniel Jose Arismendi Arrieta, Alastair J A Price, Surajit Nandi, Arghya Bhowmik, Kersti Hermansson, O Anatole von Lilienfeld

Get full text