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Requirement: When snapshot is selected and displayed and user made some changes, it is possible to return these changes to initial state of snapshot.
- click on Vector buttons on selected compounds…
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- [x] identify author
- [ ] write abstract
- [ ] agree with editors on abstract
- [ ] write recipe
- [ ] identify reviewer
- [ ] conduct review
- [ ] incorporate reviewer's comments
- [ ] publi…
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Defect Description :
In the experiment section of "Determination of molar mass of simple compounds using mass spectroscopy" experiment, the sample(remaining) is visible in the sample bottle even afte…
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Hi Daniel,
My question concerns the benchmarking data sets in Fig. 3 of the paper "Systematic integration of biomedical knowledge prioritizes drugs for repurposing". Are those available for download?…
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**Date**: July 12th 2022
**Time**: 2pm UK time ([other times](https://www.timeanddate.com/worldclock/meetingdetails.html?year=2022&month=6&day=14&hour=13&min=0&sec=0&p1=43&p2=136&p3=37&p4=771&p5=235&…
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Use the PAINS filter that is built into RDKit to filter out promiscuous compounds before training.
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**Triazolopyrazines series- Synthesis of N15, and similar para substituted RHS compounds**
We are Chemistry BSc students at the University of Reading with a passion for organic chemistry, and are cur…
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**Introduction**
We are a team of four final year undergraduate students from the University of Reading: Anisa Bhat, Noor Ahmad, Tanis Everest and Felicity Small. For our final year organic resea…
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Back in Oct 2020, I pitched the idea of an event focused on "room-temperature high pressure superconductivity" in hydrogen compounds. My colleague was busy at the time. Maybe this spring/summer is a b…
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Hi
I wanted to try the framework and assess its efficacy for hit enrichment.
What I did is follows:
1) choose HDAC6 as target and download the structure PDB id: 5EEN
2) generate pharmacophor…