7 results
- Go to itemThis workflow demonstrates model building for a bioactivity data set with several machine learning methods and binary fingerprint…7
- Go to itemThis workflow demonstrates the one and two component reaction nodes from the RDKit community extension. This worklfow demonstrate…1
- Go to itemThis workflow snippet shows how to standardize chemical structures in SMILES format using the open-source RDKit nodes. The steps …1
- Go to itemThis workflow demonstrates model building for a bioactivity data set with several machine learning methods and binary fingerprint…0
- Go to itemThis workflow allows to interactively explore in 3D the PDB structure with the small molecule ligand. The RCSB PDB is accessed vi…0
- Go to itemThis workflow demonstrates the one and two component reaction nodes from the RDKit community extension. This worklfow demonstrate…0
- Go to itemThis workflow demonstrates the one and two component reaction nodes from the RDKit community extension. This worklfow demonstrate…0