User: Barbara Zdrazil

Name: Barbara Zdrazil

Joined: Thursday 20 November 2014 13:12:44 (UTC)

Last seen: Thursday 14 June 2018 09:33:55 (UTC)

Email (public): Not specified

Website: Not specified

Location: Not specified

0 Friends

0 Groups (admin)

0 Groups (member)

2 Packs

6 Workflows

0 Favourites

Barbara Zdrazil has been credited 9 times

Barbara Zdrazil has an average rating of:

0.0 / 5

(0 ratings in total)

for their items

Description/summary not set

Other contact details:

Not specified

Interests:

Not specified

Field/Industry: Not specified

Occupation/Role(s): Not specified

Organisation(s):

Not specified

Note: some items may not be visible to you, due to viewing permissions.

Creator

Barbara Zdrazil

View

Download

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.

2 items in this pack

Comments: 0 | Viewed: 32 times | Downloaded: 22 times

Tags:

Creator

Barbara Zdrazil

View

Download

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

Comments: 0 | Viewed: 29 times | Downloaded: 12 times

Tags:

What is this?

Linked Data

Non-Information Resource URI:

Alternative Formats