Workflows

Search filter terms
Filter by type
Filter by tag
Filter by user
Filter by licence
Filter by group
Results per page:
Sort by:
Showing 53 results. Use the filters on the left and the search box below to refine the results.
Type: KNIME Licence: by-sa

Workflow KNIME workflow used to collate data for th... (1)

Thumb
KNIME workflow used to collate data from different sources (Open Data, in-house data) for certain protein targets of interest; further the data is filtered for certain activity endpoints, erraneous data is removed and data overlap between the different sources as well as the targets under study is determined and given as an output;Requirements:- Knime v2.11- Open PHACTS Knime nodes version 1.1.0: https://github.com/openphacts/OPS-Knime- KNIME additional community nodes: 'Trusted Community...

Created: 2015-11-02 | Last updated: 2016-03-29

Credits: User Barbara Zdrazil User Daniela Digles Network-member Open PHACTS

Workflow Use Case B, KNIME workflow (1)

Thumb
Workflow used to obtain data for the research paper ‘The application of the Open Pharmacological Concepts Triple Store (Open PHACTS) to support Drug Discovery Research’, PLoS One. 2014 Dec 18; 9(12):e115460. PMID: 25522365; authored by Joseline Ratnam, Barbara Zdrazil, Daniela Digles, Cuadrado-Rodriguez E, et al. This workflow can be used to retrieve data and perform the analysis described in use case BRequirements:- Knime v2.9- Open PHACTS Knime nodes version 1.0.0 (DON'...

Created: 2014-11-20 | Last updated: 2015-11-03

Credits: User Barbara Zdrazil User Emiliano Cuadrado User Daniela Digles User Lars Richter Network-member Open PHACTS

Workflow Phosphoproteomics of short-term Hedgehog s... (1)

Thumb
HPLC-MS/MS proteomics Analysis of human medulloblastoma cell line (DAOY cell line)15 minutes treatment with SAG, vismodegib, EGFTMT 10 plex experiment20 pH8 fractions measured using Qexactive HFKnime Workflow

Created: 2019-08-22 | Last updated: 2019-08-23

Credits: User Tamara Scheidt

Workflow Phosphoproteomics of short-term Hedgehog s... (1)

Thumb
HPLC-MS/MS proteomics Analysis of human medulloblastoma cell line (DAOY cell line)5 minutes treatment with SAG, vismodegib, EGFTMT 10 plex experiment20 pH8 fractions measured using Qexactive HFKnime Workflow

Created: 2019-08-22 | Last updated: 2019-08-23

Credits: User Tamara Scheidt

Workflow Phosphoproteomics of short-term Hedgehog s... (1)

Thumb
HPLC-MS/MS phosphoproteomics Analysis of human medulloblastoma cell line (DAOY cell line)15 minutes treatment with SAG, vismodegib, EGFTMT 10 plex experiment13 HILIC fractions measured using Qexactive HFKnime Workflow

Created: 2019-08-22 | Last updated: 2019-08-23

Credits: User Tamara Scheidt

Workflow Phosphoproteomics of short-term Hedgehog s... (1)

Thumb
HPLC-MS/MS phosphoproteomics Analysis of human medulloblastoma cell line (DAOY cell line)5 minutes treatment with SAG, vismodegib, EGFTMT 10 plex experiment12 HILIC fractions measured using Qexactive HFKnime Workflow

Created: 2019-08-22 | Last updated: 2019-08-23

Credits: User Tamara Scheidt

Uploader

Workflow Untargeted metabolomics reveals molecular ... (1)

Thumb
Normal 0 false false false EN-US X-NONE AR-SA ...

Created: 2019-06-21

Credits: User David_MTX

Workflow Integrative data mining of chemical compou... (1)

Thumb
This workflow downloads ligand data for hepatic Organic Anion Transporting Polypeptides (OATPs) from five different open sources (CHEMBL, Metrabase, USFC-FDA Transportal, IUPHAR, and Drugbank) in an semi-automatized fashion. This workflow can be adopted to any other ligand data showing an (in)activity against membrane transporter. If missing, structural file format is mapped via PubChem webservices. Pre-curated compounds are subjected to standardization procedure (Atkinson standardization scr...

Created: 2018-12-10 | Last updated: 2018-12-10

Credits: User Alžbeta Türková

Uploader

Workflow Genetic Algorithms for BIOISOSTERIC Struct... (1)

Thumb
Genetic algorithm workflow to generate novel structures by recombination and mutation and that uses an ML model as a fitness function. Both the fitness function and the fingerprints modified in the model should be the same. ML model cannot have any descriptors other than given fingerprint.Reverse molecular mapping/generation is not part of this workflow and can be done by creating a large Structure-FP database.

Created: 2018-11-06

Credits: User Insilicoconsulting

Workflow Substructure querying | R-group decomposit... (1)

Thumb
This workflow creates maximum common substructure (MCS) out of the provided structures and then substructure mining using MCS as a structural query is performed. Obtained hits are then subjected to R-group decomposition to explore their functional groups. Optionally, physicochemical descriptors for individual functional groups can be calculated.

Created: 2018-10-25

Credits: User Alžbeta Türková User Barbara Zdrazil

Results per page:
Sort by: