BioinformaticsbioRxivPreprint
An Open-Source Reproducible Workflow for Pocket-Oriented Virtual Screening and ADME-Integrated Chemoinformatics: A Multi-Target Flavivirus Case Study
Juan Philippe Teixeira, Miklos Maximiliano Bajay, Caio César de Melo Freire…·Daniel Ferreira de Lima Neto
The paper presents an open-source workflow for multi-target compound prioritization in drug discovery, integrating docking, ADME descriptors, and chemoinformatics for flaviviruses.
DOI 10.64898/2026.04.28.721199