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Deep Learning for Virtual Screening: Five Reasons to Use ROC Cost
  Functions

Deep Learning for Virtual Screening: Five Reasons to Use ROC Cost Functions

25 June 2020
Vladimir Golkov
Alexander Becker
Daniel T. Plop
Daniel Čuturilo
Neda Davoudi
Jeffrey L. Mendenhall
Rocco Moretti
J. Meiler
Zorah Lähner
    OOD
ArXiv (abs)PDFHTML

Papers citing "Deep Learning for Virtual Screening: Five Reasons to Use ROC Cost Functions"

3 / 3 papers shown
Scaffold-Aware Generative Augmentation and Reranking for Enhanced Virtual Screening
Scaffold-Aware Generative Augmentation and Reranking for Enhanced Virtual Screening
Xin Eric Wang
Y. Wang
Yunchao Liu
J. Meiler
Tyler Derr
204
1
0
18 Oct 2025
WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery
  Benchmarking
WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery BenchmarkingNeural Information Processing Systems (NeurIPS), 2024
Yunchao
Liu Liu
Ha Dong
Xin Wang
Rocco Moretti
...
J. Gu
Bobby Bodenheimer
Charles David Weaver
J. Meiler
Hanyu Wang
261
4
0
14 Nov 2024
Optimizing Area Under the Curve Measures via Matrix Factorization for
  Predicting Drug-Target Interaction with Multiple Similarities
Optimizing Area Under the Curve Measures via Matrix Factorization for Predicting Drug-Target Interaction with Multiple Similarities
B. Liu
Grigorios Tsoumakas
269
4
0
01 May 2021
1
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