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Achieving Well-Informed Decision-Making in Drug Discovery: A
  Comprehensive Calibration Study using Neural Network-Based Structure-Activity
  Models

Achieving Well-Informed Decision-Making in Drug Discovery: A Comprehensive Calibration Study using Neural Network-Based Structure-Activity Models

19 July 2024
Hannah Rosa Friesacher
Ola Engkvist
Lewis H. Mervin
Yves Moreau
Adam Arany
ArXiv (abs)PDFHTML

Papers citing "Achieving Well-Informed Decision-Making in Drug Discovery: A Comprehensive Calibration Study using Neural Network-Based Structure-Activity Models"

1 / 1 papers shown
Uncertainty-Aware Tabular Prediction: Evaluating VBLL-Enhanced TabPFN in Safety-Critical Medical Data
Uncertainty-Aware Tabular Prediction: Evaluating VBLL-Enhanced TabPFN in Safety-Critical Medical Data
Madhushan Ramalingam
99
0
0
12 Sep 2025
1