DrugFlow
AI-driven one-stop new drug discovery platform covering target discovery, lead compound discovery, and lead compound optimization, using AIGC, self-supervised pre-training, and reinforcement learning integrated with physical computing.
Where DrugFlow ranks
Current edition · updated Oct 20, 2026About DrugFlow
AI-driven one-stop new drug discovery platform covering target discovery, lead compound discovery, and lead compound optimization, using AIGC, self-supervised pre-training, and reinforcement learning integrated with physical computing.
Products
AI-driven one-stop new drug discovery platform with proprietary core algorithms covering the entire drug discovery process, including target discovery, lead compound discovery,...
AI-powered molecular docking module supporting semi-flexible, metal, covalent, and co-fold flexible docking with high-precision deep learning algorithms.
Peptide docking module based on RAPiDock, a protein-peptide docking method using diffusion generative models for fast, accurate all-atom level molecular docking.
Molecular docking rescoring module for refining docking poses and ranking.
Drug-likeness prediction module evaluating absorption, distribution, metabolism, excretion, and toxicity characteristics of candidate molecules.
Molecular data preprocessing tool for preparing datasets used in AI modeling workflows.
AI modeling module for building customized QSAR models based on massive drug data.
QSAR application module for applying trained models to specific drug design tasks.
Molecular generation module using generative AI technology to design novel molecular structures with specific properties.
Efficient screening of large-scale compound libraries to quickly identify potential active candidate molecules, including billion-scale contrast and co-fold screening.
Tool for preparing ligand structures for docking and screening workflows.
Tool for preparing protein structures for docking and screening workflows.
Tool for parsing NMR spectral data and extracting structural information.
Tool for extracting key structural information from complex biological data to assist in understanding drug-target interaction mechanisms.
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