Vol. 73 No. 12 (2019): Artificial Intelligence in Swiss Chemical Research

Editorial

• Editorial

  Torsten Luksch, Hans Peter Lüthi

  969

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Scientific Articles

• Machine Learning at the Atomic Scale

  Félix Musil, Michele Ceriotti

  972

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• Quantum Chemistry Meets Machine Learning

  Alberto Fabrizio, Benjamin Meyer, Raimon Fabregat, Clemence Corminboeuf

  983

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• Exploring Machine Learning Tools for the Prediction of the Stability of New Togni-type Reagents

  Shungo Koichi, Hans P. Lüthi

  990

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• Data-driven Chemical Reaction Prediction and Retrosynthesis

  Vishnu H Nair, Philippe Schwaller, Teodoro Laino

  997

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• Reducing the Concepts of Data Science and Machine Learning to Tools for the Bench Chemist

  Richard A. Lewis, Peter Ertl, Nadine Schneider, Nikolaus Stiefl

  1001

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• De novo Molecular Design with Generative Long Short-term Memory

  Francesca Grisoni, Gisbert Schneider

  1006

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• Pharmacoepidemiology and Big Data Analytics: Challenges and Opportunities when Moving towards Precision Medicine

  Andrea M. Burden

  1012

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• Exploring Chemical Space with Machine Learning

  Josep Arús-Pous, Mahendra Awale, Daniel Probst, Jean-Louis Reymond

  1018

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• Machine Learning with and for Molecular Dynamics Simulations

  Sereina Riniker, Shuzhe Wang, Patrick Bleiziffer, Lennard Böselt, Carmen Esposito

  1024

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• Operator Quantum Machine Learning: Navigating the Chemical Space of Response Properties

  Anders S. Christensen, O. Anatole von Lilienfeld

  1028

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Columns, Conference Reports

• Swiss Science Concentrates

  Yann Baumgartner, Nadja Niggli, David Savary, Pierre Thesmar, Olivier Baudoin

  1032

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• SU-8 Micropipettes for Gentle Single-cell Manipulation Highlights of Analytical Sciences in Switzerland

  Vincent Martinez, Hana Han, János Vörös, Tomaso Zambelli

  1033

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• Polymer–Nanoparticle Hydrogels Polymer and Colloid Highlights

  Stéphane Bernhard, Giovanni Bovone, Elia A. Guzzi, Mark W. Tibbitt

  1034

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• Phosphorus – Friend of the Medicinal Chemist Medicinal Chemistry and Chemical Biology Highlights

  Jonathan Hall

  1035

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• The Sting's the Thing Chemical Education

  Catherine E. Housecroft

  1037

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• Microparticles as Additives for Increasing the Mechanical Stiffness of Polypropylene FH-HES Universities of Applied Sciences

  Stefan Hengsberger, Geoffroy Leignel, Eléonore Véron du Breuil, Christophe Cotting, Renaud Meuwly, Jean-Marie Dutoit, Thierry Chappuis

  1039

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• Chirality@The Nanoscale Symposium: Congresso Stefano Franscini (CSF), Monte Verita, Ascona, 13–17 October, 2019 Conference Report

  Karl-Heinz Ernst

  1042

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Community News

• Community News

  1044

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Events

• Congresses, Symposia, Lectures, Education Courses

  1050

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• Impressum & Index

  1055

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• Author Index

  I

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CHIMIA Report/Company News

• Further Education in Chemical Analysis : Course Program 2020

  1063

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• CHIMIA Report/Company News Companies present themselves and their products

  1064

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