ADMETlab 2.0
An integrated online platform for accurate and comprehensive ADMET property prediction. - Established an earlier large-scale online ADMET prediction platform. - Supported broad property prediction for medicinal…
Projects & Platforms
Open scientific tools and platforms for AI-driven drug design.
ADMETlab 3.0
A comprehensive online ADMET prediction platform with API access and decision support for drug discovery. - Covers 119 endpoints and more than 400,000 entries according to the CV. - Built on a multitask DMPNN framework…
ChemFH
An integrated platform for screening frequent false positives in chemical biology and drug discovery. - Built with multitask DMPNN models and more than 820,000 compounds. - Integrates seven categories of false-positive…
ChemMORT
An automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization. - Supports multi-objective molecular optimization. - Combines learning-based models with swarm optimization.…
DDInter 2.0
A free drug interaction platform covering drug-drug, drug-food, and drug-disease interactions. - Covers 2,310 drugs and 302,516 interaction records. - Adds mechanism descriptions, management advice, and visualization…
One-Stop Intelligent Drug Design Platform
An in-progress end-to-end intelligent drug design platform intended to let researchers focus more on science and creativity. - Uses low-code and microservice architecture according to the CV. - Designed as a one-stop…
OptADMET
A web-based tool for substructure modification to improve ADMET properties of lead compounds. - Integrates 41,779 experimentally verified and 146,450 predicted chemical transformation rules. - Covers 32 ADMET properties…