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.

User Login



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

Copyright © 2023 Prof. HongLin Li's Group, School of Pharmacy, East China University of Science & Technology · All Right Reserved.
沪ICP备19004698号-1 |  沪公网安备31011302004713号