eSHAFTS

eSHAFTS, a user-friendly graphical working environment based on molecular 3D similarity method, has been developed. The overarching goal of eSHAFTS is to provide a computational platform that facilitates both experts and non-specialists to utilize common computational methodologies germane to drug discovery, such as drug repurposing, polypharmacology, hit compounds identification and scaffold hopping studies.

To do so, eSHAFTS provides
  • (1) a storage facility for chemical structures with bioactivities and associated target annotations (>350,000) and non-annotated compounds for virtual screening (>300,000),
  • (2) an efficient combination of the SHAFTS, Cyndi, OpenBabel, JChemPaint and Jmol suites,
  • (3) powerful user account management system, as well as data security and privacy protection mechanisms.

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Contact us


Honglin Li's Lab
Shanghai Key Laboratory of New Drug Design
School of Pharmacy
East China University of Sci. & Tech.
Room 527, Building 18, 130 Meilong Road,
Shanghai, 200237, P. R. China
Tel: (86) 21 6425 0213
Prof. Honglin Li
hlli@ecust.edu.cn

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