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Combating small molecule aggregation with machine learning

Combating small molecule aggregation with machine learning

Kuan-Ting Lee
An Yang
Yen-Chu Lin
D. Reker
G. Bernardes
T. Rodrigues
ArXiv (abs)PDFHTML

Papers citing "Combating small molecule aggregation with machine learning"

2 / 2 papers shown
Title
Mitigating Molecular Aggregation in Drug Discovery with Predictive Insights from Explainable AI
Mitigating Molecular Aggregation in Drug Discovery with Predictive Insights from Explainable AI
Hunter Sturm
Jonas Teufel
Kaitlin A. Isfeld
Pascal Friederich
Rebecca Davis
70
2
0
03 Jun 2023
"Why Should I Trust You?": Explaining the Predictions of Any Classifier
"Why Should I Trust You?": Explaining the Predictions of Any Classifier
Marco Tulio Ribeiro
Sameer Singh
Carlos Guestrin
FAttFaML
1.3K
17,240
0
16 Feb 2016