Philippe Schwaller
Philippe Schwaller
IBM Research Zurich / UniBe
Email verificata su zurich.ibm.com
TitoloCitata daAnno
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
N Mounet, M Gibertini, P Schwaller, D Campi, A Merkys, A Marrazzo, ...
Nature nanotechnology 13 (3), 246, 2018
3132018
“Found in Translation”: predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models
P Schwaller, T Gaudin, D Lanyi, C Bekas, T Laino
Chemical science 9 (28), 6091-6098, 2018
602018
Molecular Transformer – A Model for Uncertainty-Calibrated Chemical Reaction Prediction
P Schwaller, T Laino, T Gaudin, P Bolgar, C Bekas, AA Lee
2019 ACS central science / 2018 NeurIPS Workshop on Machine Learning for …, 2018
142018
Insights into photovoltaic properties of ternary organic solar cells from phase diagrams
M Makha, P Schwaller, K Strassel, SB Anantharaman, F Nüesch, R Hany, ...
Science and technology of advanced materials 19 (1), 669-682, 2018
52018
Predicting retrosynthetic pathways using a combined linguistic model and hyper-graph exploration strategy
P Schwaller, R Petraglia, V Zullo, VH Nair, RA Haeuselmann, R Pisoni, ...
arXiv preprint arXiv:1910.08036, 2019
2019
Data-Driven Chemical Reaction Classification with Attention-Based Neural Networks
P Schwaller, AC Vaucher, VH Nair, T Laino
ChemRxiv, 2019
2019
Dataset Bias in the Natural Sciences: A Case Study in Chemical Reaction Prediction and Synthesis Design
RR Griffiths, P Schwaller, AA Lee
2018 NeurIPS Workshop on Machine Learning for Molecules and Materials, 2018
2018
" Found in Translation": A deeper analysis of neural machine translation models for chemical reaction prediction
P Schwaller, T Gaudin, D Lanyi, C Bekas, T Laino
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
" Lost in translation": Treating organic chemistry as a natural language
T Gaudin, P Schwaller, D Lanyi, C Bekas, T Laino
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018
High-throughput prediction of novel two-dimensional materials
N Mounet, P Schwaller, A Cepellotti, A Merkys, IE Castelli, M Gibertini, ...
APS Meeting Abstracts, 2016
2016
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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