Life Sciences
This directory contains 18 workflows.
Molecular Sketcher
This component is intended to replace the MarvinSketch node, which is no longer openly available from the December 2020 release on. It is based on the […]
One-Hot Encoder (Biological Sequences)
This component takes a column containing biological sequences (DNA/RNA/Protein) and creates a one-hot encoded version of the sequences. Through the […]
Pathway Enrichment Analysis
The Component uses IDs from several data sources to create an interactive pathway analysis based on the web service of Reactome. The input for the pathway […]
PDB Chemical Structure Search
This component performs a query for chemical structure searches using the SMILES notation. The component is based on the RCSB PDB RESTful WebServices. The […]
PDB Data Extractor
The PDB Data Extractor component receives PDB IDs as input and fetches additional data about the provided structures like sequences or references to other […]
REOS Tagger
This component flags input molecules according to the Rapid Elimination of Swill (REOS) filter rules, which are listed below. The expected input is data in […]
Tox Alert Skin Sensitization
This component flags input molecules upon their skin sensitization potential. The SMARTS encoding the potential reactive site and the domain/mechanism are […]
Variant Effect Predictor
This component determines the effect of genetic variants using Ensembl's Variant Effect Predictor (VEP) via their REST API (https://rest.ensembl.org/#VEP). […]