General Information
| Description | A versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method |
| Homepage | http://lilab.ecust.edu.cn/chemmapper/ |
Publications
ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method
Summary:
ChemMapper is an online platform to predict polypharmacology effect and mode of action for small molecules based on 3D similarity computation. ChemMapper collects >350 000 chemical structures with bioactivities and associated target annotations (as well as >3 000 000 non-annotated compounds for virtual screening). Taking the user-provided chemical structure as the query, the top most similar compounds in terms of 3D similarity are returned with associated pharmacology annotations. ChemMapper is designed to provide versatile services in a variety of chemogenomics, drug repurposing, polypharmacology, novel bioactive compounds identification and scaffold hopping studies.
Availability:
http://lilab.ecust.edu.cn/chemmapper/.
Contact:
xfliu@ecust.edu.cn or hlli@ecust.edu.cn
Supplementary information:
Supplementary data are available at Bioinformatics online.
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