This directory contains 10 workflows.
Workflow: BDBBuilder. Purpose: Workflow that processes the BDBOriginal Table, generates molecular descriptors and CDK and RDKit fingerprints, and creates a […]
Workflow: BDBBuilderFast. Purpose: Workflow that processes the BDBOriginal Table, generates RDKit fingerprints, and creates a KNIME Table for use by other […]
Workflow using fingerprint similarity to cluster data and select compounds for reduced reference set. Makes table for use in FMCT batch workflow
Workflow: Compound2Targets. Description: This workflow starts with a compound structure and desired similarity cutoff values, entered in separate nodes. […]
Workflow: FMCT - Fingerprint. Purpose: This workflow suggests what protein Target(s) your Compound of interest is likely to bind, based on what Targets are […]
Workflow: FMCT - Fingerprint, batch. Purpose: This workflow suggests what protein Target(s) your Compound batch of interest is likely to bind, based on what […]
Workflow: FMCT - MCS. Purpose: This workflow suggests what protein Target(s) your Compound of interest is likely to bind, based on what Targets are bound by […]
Workflow: Target2Compounds. Description: This workflow starts with a UNIPROT and desired affinity cutoff values, entered into seperate nodes. Then, a […]
Do you have feedback, questions, comments about NodePit, want to support this platform, or want your own nodes or workflows listed here as well? Do you think, the search results could be improved or something is missing? Then please get in touch! Alternatively, you can send us an email to mail@nodepit.com, follow @NodePit on Twitter or botsin.space/@nodepit on Mastodon.
Please note that this is only about NodePit. We do not provide general support for KNIME — please use the KNIME forums instead.