15 results
- Go to itemPull any data (SMILES, Activity, Assay, others from ChEMBL via API GET services) Input: CSV or List of ChEMBL ID (Target or Molec…1
- Go to itemWorkflow for the retrieval and the inital analysis of the bioactivites of the therapeutic targets of approved drugs0
- Go to itemInformation on compound structure, bioactivity and associated targets is organized in databases such as ChEMBL, PubChem, or DrugB…0
- Go to itemThis workflow allows the user to select a disease from ChEMBL DB and perform a search of every target (single protein or protein …0
- Go to itemInformation on compound structure, bioactivity, and associated targets are organized in databases such as ChEMBL, PubChem, or Dru…0
- Go to itemThis workflow converts csv files of SureChEMBLccs to a KNIME table. Since there are more than 20 million rows of data, it takes t…0
- Go to itemこのワークフローでは、Jupyterノートブックで定義された機能をKNIMEの内部から使用することを示しています。ドキュメントのセットに対してトピックモデルを構築した後、JupyterノートブックからPython関数を使用して、ドキュメントの2D空間へのt-…0
- Go to itemThis workfow uses a multitask neural network built using PyTorch and saved to the ONNX format to generate predictions. The networ…0
- Go to itemThis workflow uses a query against a SQL version of the ChEMBL database to retrieve a bunch of information about user-provided ta…0
- Go to itemThis workflow provides a simple example of generating matched molecular pairs (MMPs) from a set of compounds and using them to pr…0
- Go to itemThis workflow demonstrates the use of the Vernalis Speedy SMILES nodes to pre-process and filter a table of molecules from ChEMBL…0
- Go to itemThis workflow allows to connect to ChEMBL APi and extract the data from the latest version of ChEMBLdb. It sends /data/lookup , /…0
- Go to itemThis workflow implements substructure and similarity searches through ChEMBLdb using its API. The workflow is implemented using i…0
- Go to itemThis workflow demonstrates the use of functionality defined in a Jupyter notebook from inside of KNIME. After building a topic mo…0