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Predicting Aqueous Solubility of Organic Molecules Using Deep Learning
  Models with Varied Molecular Representations

Predicting Aqueous Solubility of Organic Molecules Using Deep Learning Models with Varied Molecular Representations

26 May 2021
G. Panapitiya
Michael Girard
Aaron Hollas
V. Murugesan
Wei Wang
Emily Saldanha
ArXivPDFHTML

Papers citing "Predicting Aqueous Solubility of Organic Molecules Using Deep Learning Models with Varied Molecular Representations"

3 / 3 papers shown
Title
Predicting small molecules solubilities on endpoint devices using deep
  ensemble neural networks
Predicting small molecules solubilities on endpoint devices using deep ensemble neural networks
Mayk Caldas Ramos
Andrew D. White
27
0
0
11 Jul 2023
Outlier-Based Domain of Applicability Identification for Materials
  Property Prediction Models
Outlier-Based Domain of Applicability Identification for Materials Property Prediction Models
G. Panapitiya
Emily Saldanha
15
2
0
17 Jan 2023
Application of Graph Neural Networks and graph descriptors for graph
  classification
Application of Graph Neural Networks and graph descriptors for graph classification
J. Adamczyk
FaML
21
5
0
07 Nov 2022
1