#

qsar

Here are 3 public repositories matching this topic...

UnixJunkie / rankers

Reference implementation of the Vanishing Ranking Kernels (VRK) method

kde hts classification chemoinformatics qsar lbvs cadd vrk applicability-domain ocaml-program bandwidth-selection

Updated Jan 5, 2023
OCaml

UnixJunkie / hts_shrink

Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets

hts chemoinformatics qsar lbvs cadd applicability-domain ocaml-program sample-selection parzen-window bandwidth-selection

Updated Nov 28, 2023
OCaml

UnixJunkie / molenc

MolEnc: a molecular encoder using rdkit and OCaml.

python-script rdkit chemoinformatics qsar lbvs ocaml-program chemical-fingerprint signature-molecular-descriptor molecular-encoding atom-pairs pharmacophore-points counted-unfolded-fingerprint

Updated Oct 23, 2024
OCaml

Improve this page

Add a description, image, and links to the qsar topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the qsar topic, visit your repo's landing page and select "manage topics."