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

Alán Aspuru-Guzik

Alexander B. Wiltschko

Papers citing "Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules"

11 / 11 papers shown

Title
Olfactory Label Prediction on Aroma-Chemical Pairs Laura Sisson Aryan Amit Barsainyan Mrityunjay Sharma Ritesh Kumar 19 0 0 26 Dec 2023
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 24 6 0 06 Jul 2023
The Vendi Score: A Diversity Evaluation Metric for Machine Learning Dan Friedman Adji Bousso Dieng EGVM 94 112 0 05 Oct 2022
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 55 374 0 05 Aug 2022
A graph representation of molecular ensembles for polymer property prediction Matteo Aldeghi Connor W. Coley AI4CE 27 43 0 17 May 2022
Graph Anisotropic Diffusion Ahmed A. A. Elhag Gabriele Corso Hannes Stärk Michael M. Bronstein DiffM GNN 32 0 0 30 Apr 2022
Predicting Aqueous Solubility of Organic Molecules Using Deep Learning Models with Varied Molecular Representations G. Panapitiya Michael Girard Aaron Hollas V. Murugesan Wei Wang Emily Saldanha 33 46 0 26 May 2021
Computing Graph Neural Networks: A Survey from Algorithms to Accelerators S. Abadal Akshay Jain Robert Guirado Jorge López-Alonso Eduard Alarcón GNN 36 225 0 30 Sep 2020
Improving Graph Neural Network Expressivity via Subgraph Isomorphism Counting Giorgos Bouritsas Fabrizio Frasca S. Zafeiriou M. Bronstein 58 424 0 16 Jun 2020
ML4Chem: A Machine Learning Package for Chemistry and Materials Science Muammar El Khatib W. A. Jong VLM 21 6 0 02 Mar 2020
Machine learning and AI-based approaches for bioactive ligand discovery and GPCR-ligand recognition S. Raschka Benjamin Kaufman AI4CE 24 67 0 17 Jan 2020