SparseChem: Fast and accurate machine learning model for small molecules

9 March 2022

Papers citing "SparseChem: Fast and accurate machine learning model for small molecules"

3 / 3 papers shown

Title
Enhancing Uncertainty Quantification in Drug Discovery with Censored Regression Labels Emma Svensson Hannah Rosa Friesacher S. Winiwarter Lewis H. Mervin Adam Arany O. Engkvist 42 2 0 06 Sep 2024
Achieving Well-Informed Decision-Making in Drug Discovery: A Comprehensive Calibration Study using Neural Network-Based Structure-Activity Models Hannah Rosa Friesacher O. Engkvist Lewis H. Mervin Yves Moreau Adam Arany 39 0 0 19 Jul 2024
Industry-Scale Orchestrated Federated Learning for Drug Discovery M. Oldenhof G. Ács Balázs Pejó A. Schuffenhauer Nicholas Holway ... Yves Moreau O. Engkvist Hugo Ceulemans Camille Marini M. Galtier FedML 38 38 0 17 Oct 2022