Pareto Optimization to Accelerate Multi-Objective Virtual Screening

16 October 2023

Papers citing "Pareto Optimization to Accelerate Multi-Objective Virtual Screening"

6 / 6 papers shown

Title
Preferential Multi-Objective Bayesian Optimization for Drug Discovery Tai Dang Long-Hung Pham Sang T. Truong Ari Glenn Wendy Nguyen Edward A. Pham Jeffrey S. Glenn Sanmi Koyejo Thang Luong 59 0 0 21 Mar 2025
Bayesian optimization as a flexible and efficient design framework for sustainable process systems J. Paulson Calvin Tsay TPM 16 12 0 29 Jan 2024
Beyond Regrets: Geometric Metrics for Bayesian Optimization Jungtaek Kim 24 0 0 03 Jan 2024
New Paradigms for Exploiting Parallel Experiments in Bayesian Optimization Leonardo D. González Victor M. Zavala 22 17 0 03 Oct 2022
DOCKSTRING: easy molecular docking yields better benchmarks for ligand design Miguel García-Ortegón G. Simm Austin Tripp José Miguel Hernández-Lobato A. Bender S. Bacallado 24 73 0 29 Oct 2021
Accelerating high-throughput virtual screening through molecular pool-based active learning David E. Graff E. Shakhnovich Connor W. Coley 67 139 0 13 Dec 2020