Distance-Based Boolean Applicability Domain for Classification of High Throughput Screening Data
Reference implementation of the Distance-Based Boolean Applicability Domain.
For more information, and if you use the software, please cite:
"A Distance-Based Boolean Applicability Domain for Classification of High Throughput Screening Data". Francois Berenger and Yoshihiro Yamanishi. Journal of Chemical Information and Modeling: https://pubs.acs.org/doi/10.1021/acs.jcim.8b00499
To install the software
opam update
opam install hts_shrink
To test the software
./test.sh
For an example, plese look into test.sh.