title: ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method.
abstract: CONCLUSIONS
  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.
  
  
  BACKGROUND
  http://lilab.ecust.edu.cn/chemmapper/.
  
  
  BACKGROUND
  xfliu@ecust.edu.cn or hlli@ecust.edu.cn
  
  
  BACKGROUND
  Supplementary data are available at Bioinformatics online.
authors.affiliation: School of Information Science and Engineering, East China University of Science and Technology, Shanghai 200237, China.
authors.forename: Jiayu
authors.initials: J
authors.lastname: Gong
authors.forename: Chaoqian
authors.initials: C
authors.lastname: Cai
authors.forename: Xiaofeng
authors.initials: X
authors.lastname: Liu
authors.forename: Xin
authors.initials: X
authors.lastname: Ku
authors.forename: Hualiang
authors.initials: H
authors.lastname: Jiang
authors.forename: Daqi
authors.initials: D
authors.lastname: Gao
authors.forename: Honglin
authors.initials: H
authors.lastname: Li
mesh_terms: D055808:Drug Discovery; D020407:Internet; D004364:Pharmaceutical Preparations / Q000737:chemistry; D012984:Software
chemical_list: D004364:Pharmaceutical Preparations