Visual Science Communicator_Haboo·19h agoFrom Signal to Drug 04 — How MolPAL Screens 100 Million Molecules Without Docking Them AllThe fourth piece in my From Signal to Drug series explores the active learning loop behind MolPAL, a model-guided approach to virtual…
Chemistry with data magic·Jul 2化學資訊學實作：探索類似分子與虛擬篩選 — 用 Morgan Fingerprint 找出先導化合物用 Morgan Fingerprint 與 Tanimoto 係數，在千萬個化合物中快速找出結構相似的先導化合物。
Y.J. Chen·Jun 7How to Build a 10-Million-Compound Screening Pipeline for Under $6,000 — and Why You Probably…This article has two sections.
Y.J. Chen·Jun 7How to Build a 10-Million-Compound Screening Pipeline for Under $6,000 — and Why You Probably…This article has two sections.
Y.J. Chen·May 16Breaking the Academic Cage: A $170k (NT$5.4M) Virtual Screening PipelineA response icon1A response icon1
Billy K·Aug 28, 2025Artificial Intelligence in Drug Discovery: Navigating Chemical and Biological SpaceDrug discovery has traditionally been a slow and incredibly costly process, with timelines stretching across decades and billions of…
Engin Yapici·Apr 15, 2025What Does “Inactive” Actually Mean in Drug Discovery?A closer look at InertDB, a curated and AI-augmented resource for negative data
Christoph Jud·Feb 14, 2025AI’s Smoke and Mirrors: The Illusion of Digital AlchemyWhen Machine Learning Magic Tricks Us
Giuseppe Marco Randazzo·Sep 15, 2024How I Automated Multiple Ligand Docking with Autodock/Vina and Why You Should TooIn 2017, I faced a daunting task: performing multiple docking simulations on a single target protein. As a researcher in computational drug…
