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Machine Learning for Scent: Learning Generalizable Perceptual
  Representations of Small Molecules

Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules

23 October 2019
Benjamín Sánchez-Lengeling
Jennifer N. Wei
Brian K. Lee
R. C. Gerkin
Alán Aspuru-Guzik
Alexander B. Wiltschko
    GNN
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Papers citing "Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules"

4 / 4 papers shown
Title
Olfactory Label Prediction on Aroma-Chemical Pairs
Olfactory Label Prediction on Aroma-Chemical Pairs
Laura Sisson
Aryan Amit Barsainyan
Mrityunjay Sharma
Ritesh Kumar
11
0
0
26 Dec 2023
PUFFIN: A Path-Unifying Feed-Forward Interfaced Network for Vapor
  Pressure Prediction
PUFFIN: A Path-Unifying Feed-Forward Interfaced Network for Vapor Pressure Prediction
Vinícius V. Santana
C. Rebello
Luana P. Queiroz
A. M. Ribeiro
Nadia Shardt
Idelfonso B. R. Nogueira
15
6
0
06 Jul 2023
Graph neural networks for materials science and chemistry
Graph neural networks for materials science and chemistry
Patrick Reiser
Marlen Neubert
André Eberhard
Luca Torresi
Chen Zhou
...
Houssam Metni
Clint van Hoesel
Henrik Schopmans
T. Sommer
Pascal Friederich
GNN
AI4CE
24
366
0
05 Aug 2022
ML4Chem: A Machine Learning Package for Chemistry and Materials Science
ML4Chem: A Machine Learning Package for Chemistry and Materials Science
Muammar El Khatib
W. A. Jong
VLM
4
6
0
02 Mar 2020
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