Skip to content

Latest commit

 

History

History
13 lines (8 loc) · 1019 Bytes

README.md

File metadata and controls

13 lines (8 loc) · 1019 Bytes
Raw

A Brief Introduction to ULS/UDS (Unbiased Ligand Set/Unbiased Decoy Set)

  1. ULS/UDS is the first series of maximal unbiased benchmarking datasets that created by MUBD-DecoyMaker 1.0, a Pipeline Pilot-based computational tool developed by our lab. ULS/UDS has been compared with GLL/GDD and is maximal unbiased in evalution of virtual screening approaches. ULS/UDS proves the rational of our algorithm and the robustness of our computational tool.

  2. ULS/UDS is composed of 17 datasets for GPCR targets.

  3. ULS/UDS is easily accessible by downloading all the files here and unzipping them.

  4. If you find it useful, please cite the following publications:

  • Xia, J.; Jin, H.; Liu, Z.; Zhang, L.; Wang, X. S., An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs. J Chem Inf Model 2014, 54, 1433-50. https://pubs.acs.org/doi/10.1021/ci500062f
  1. Any question or feedback is welcome. Please send emails to [email protected] (Dr. Jie Xia)