Regression Enrichment Surfaces: a Simple Analysis Technique for Virtual Drug Screening Models

1 June 2020

Papers citing "Regression Enrichment Surfaces: a Simple Analysis Technique for Virtual Drug Screening Models"

6 / 6 papers shown

Title
Feasibility Study on Active Learning of Smart Surrogates for Scientific Simulations Pradeep Bajracharya J. Q. Toledo-Marín Geoffrey C. Fox S. Jha Linwei Wang AI4CE 93 1 0 10 Jul 2024
Deep Surrogate Docking: Accelerating Automated Drug Discovery with Graph Neural Networks Ryien Hosseini F. Simini Austin R. Clyde A. Ramanathan 50 5 0 04 Nov 2022
RAPTOR: Ravenous Throughput Computing André Merzky Matteo Turilli S. Jha 58 3 0 31 Aug 2022
Protein-Ligand Docking Surrogate Models: A SARS-CoV-2 Benchmark for Deep Learning Accelerated Virtual Screening Austin R. Clyde Thomas Brettin A. Partin H. Yoo Y. Babuji ... André Merzky Matteo Turilli S. Jha A. Ramanathan Rick L. Stevens ELM 47 8 0 13 Jun 2021
Scalable HPC and AI Infrastructure for COVID-19 Therapeutics Hyungro Lee André Merzky Li Tan Mikhail Titov Matteo Turilli ... Anda Trifan Hubertus Van Dam S. Wan Sean R. Wilkinson S. Jha 82 10 0 20 Oct 2020
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads Aymen Al-Saadi Dario Alfè Y. Babuji Agastya P. Bhati Ben Blaiszik ... A. Tsaris Matteo Turilli H. V. Dam S. Wan David Wifling 58 31 0 13 Oct 2020