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Pack Workflows for scaffold trend analyses


Created: 2017-06-22 13:01:47 | Last updated: 2018-06-14 09:37:37

These two KNIME workflows were used to process the raw data (retrieved via sql query from ChEMBL) in order to retrieve the final data for scaffold trend analyses as described in the paper: "The rise and fall of a scaffold: A trend analysis of scaffolds in the medicinal chemistry literature" by B. Zdrazil and R. Guha, Journal of Medicinal Chemistry, 2018, 61 (11), pp 4688-4703.

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Pack Open research data reutilization tool


Created: 2017-01-20 16:44:15 | Last updated: 2017-03-15 07:30:53

Workflows created in order to perform a machine learning project using open research data from the Harvard Dataverse. This work is the result of my master's thesis and you are very welcome to collaborate!

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Pack Supplementary information for paper submission @ F10...


Created: 2016-10-25 14:57:58 | Last updated: 2016-10-25 15:06:18

This pack contains the files that belong to supplementary information of the paper submission at F1000Research. Note: This is a temporary link for the review proccess of the thesis "Knowledge discovery methods in Huntington's Disease" by Eleni Mina, till the data are published online at the F1000Research

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Pack myPack


Created: 2016-10-25 13:55:14 | Last updated: 2016-10-25 14:00:38

ok

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Pack test


Created: 2016-10-19 06:56:02

test

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Pack KNIME workflows from Zdrazil et al, MedChemComm, 201...


Created: 2016-07-20 06:21:03 | Last updated: 2017-06-22 13:35:07

Included are 2 KNIME workflows for data retrieval and processing:1) a KNIME workflow called "Transporter_Profiling_SERT_DAT_HERGlabel" with HERG labels included2) a KNIME workflow called "Transporter_Profiling_SERT_DAT_Ki_IC50_tailored_TH" without HERG labels

7 items in this pack

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Pack Telehealth Initiatives to Improve Efficiency and Qua...


Created: 2016-07-06 08:21:38

Over the past two decades, plenty of telehealth applications have been successfully implemented. Applications such as the transfer of digital photos and patient records and the use of medical video endoscopes to monitor patients’ physical examination have demonstrated great results. For many players, the introduction of telehealth in the global medical tourism market has been a profitable strategy.Telehealth improves the efficiency, customer service, and quality of medical tourism servi...

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Pack Phenotypic screening annotation protocols


Created: 2016-05-06 12:02:23 | Last updated: 2016-05-06 12:03:03

This is a collection of all protocols published in Digles et al., Open PHACTS Computational Protocols for in silico Target validation of Cellular Phenotypic Screens: Knowing the Knowns, MedChemComm, submitted.The workflows require the Open PHACTS KNIME nodes (org.openphacts.utils.json_1.1.0.zip) available from https://github.com/openphacts/OPS-Knime.

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Pack Experiment


Created: 2016-01-20 00:05:11

This is a test.

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Pack Dissertation-Ch4-SupplementaryMaterial


Created: 2015-11-17 15:24:18 | Last updated: 2015-11-17 15:46:20

This pack contains the workflow files in the Ch4 evaluation cohort. The result of abstraction, and the spreadsheet sources for the figures included in the evaluation section.

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