计算平台
ChemDes
An integrated web-based platform for molecular descriptor and fingerprint computation
BioTriangle
A web-accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions
ADMETlab
A platform for systematic ADMET evaluation based on a comprehensively collected ADMET database.
TargetNet
A web service for predicting potential drug-target interaction profiling via multi-target SAR models.
ChemAGG
A free webserver that could be used to easily filter out aggregators from potential lead molecules.
ChemFLuc
A public webserver which could be useful to flag FLuc inhibitors in large dataset.
FormulationAI
A novel web-based platform for drug formulation design driven by artificial intelligence.
Alzheimernet
An online platform for predicting potential compounds interacting with targets of Alzheimer disease.
数据库
HAMDB
A database of human autophagy modulators with specific pathway and disease information.
TCMSID
A simplified integrated database for drug discovery from traditional chinese medicine.
Foodfungi
The first database for Monascus: species, metabolites, biological activity, and strain improvement.
其他软件/工具
PyBioMed
A python package for generating various molecular representations for chemicals, proteins, DNAs and their interactions.
BioMedR
An R-based pacakage generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.
ChemCOTar
Rational Design of Organelle-targeted Fluorescent Probes: Insights from Artificial Intelligence.
NOAEL
A KNIME-based pipeline for NOAEL prediction through a systematic comparison of different machine learning methods and descriptors.
ChemSweet
A novel multi-layer prediction approach for sweetness evaluation based on systematic machine learning modeling.