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Our projects on Github. The Ying and Yang of Drugs and Targets. Today is election day in the UK, and so it's ones duty to vote, and then spend the rest of the day thinking about just how cool science is. I was thinking the other day on the train, that we don't always want drugs that are benign. Of course we always want drugs that are safe and predictable in action; but mechanistically we sometimes want to do harm, kill a cell, wipe it out entirely - let's call these malign. There are many approaches to t...

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ChEMBL blog | chembl.github.io Reviews

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Our projects on Github. The Ying and Yang of Drugs and Targets. Today is election day in the UK, and so it's ones duty to vote, and then spend the rest of the day thinking about just how cool science is. I was thinking the other day on the train, that we don't always want drugs that are benign. Of course we always want drugs that are safe and predictable in action; but mechanistically we sometimes want to do harm, kill a cell, wipe it out entirely - let's call these malign. There are many approaches to t...

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1 tweety użytkownika @chembl

2 chembl

3 classes j

4 and p

5 about cheminformatics

6 fu' zxp wm kc3 n

7 congratulations to matt

8 chembl team

9 upcoming webinars

10 mychembl

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ChEMBL blog | chembl.github.io Reviews

https://chembl.github.io

Our projects on Github. The Ying and Yang of Drugs and Targets. Today is election day in the UK, and so it's ones duty to vote, and then spend the rest of the day thinking about just how cool science is. I was thinking the other day on the train, that we don't always want drugs that are benign. Of course we always want drugs that are safe and predictable in action; but mechanistically we sometimes want to do harm, kill a cell, wipe it out entirely - let's call these malign. There are many approaches to t...

INTERNAL PAGES

chembl.github.io

1

The Ying and Yang of Drugs and Targets

http://chembl.github.io/the-ying-and-yang-of-drugs-and-targets

Our projects on Github. The Ying and Yang of Drugs and Targets. Today is election day in the UK, and so it's ones duty to vote, and then spend the rest of the day thinking about just how cool science is. I was thinking the other day on the train, that we don't always want drugs that are benign. Of course we always want drugs that are safe and predictable in action; but mechanistically we sometimes want to do harm, kill a cell, wipe it out entirely - let's call these malign. There are many approaches to t...

2

GET and SMILES interference

http://chembl.github.io/get-and-smiles-interference

Our projects on Github. GET and SMILES interference. When reviewing our old web services documentation ( https:/ www.ebi.ac.uk/chemblws/docs. You will notice some methods can be accessed by both: GET. One thing these methods have in common is that they all accept SMILES. As search parameter. Why? Well, it turns out there are some SMILES, that can not be handled via GET, when using old web services. Take this SMILES as an example: [Na ].CO[C@ H](CCC#C C=C/CCCC(C)CCCCC=C)C(=O)[O-]. Https:/ www.ebi....Not v...

3

Beaker now officially part of ChEMBL web services

http://chembl.github.io/beaker-now-officially-part-of-chembl

Our projects on Github. Beaker now officially part of ChEMBL web services. We have mentioned Beaker (a.k.a the ChEMBL cheminformatics utility web service), several times on the blog ( here. But have not devoted an entire post to Beaker. Well, here it is. Beaker - what's this? It's a small utility, that makes chemistry software available securely over https. You no longer need to install a chemical toolkit in order to convert your molfile. Which toolkits are used by Beaker? Do I need an API Key? This lets...

4

The SureChEMBL map file is out

http://chembl.github.io/the-surechembl-map-file-is-out

Our projects on Github. The SureChEMBL map file is out. Besides the interface, SureChEMBL compound data can be accessed in various ways, such as UniChem. The full compound dump is also available as a flat file download from our ftp server. Since the release of the SureChEMBL interface last September, we have received numerous requests for a way to access compound. Patent data in a batch way. Typical use-cases would include retrieving all compounds for a list of patent IDs, or. It is available here. And r...

5

Compound names and The InterWeb

http://chembl.github.io/compound-names-and-interweb

Our projects on Github. Compound names and The InterWeb. So, we have a pretty big set of clinical stage kinase inhibitors that we've gathered from a wide variety of sources - this is the subject of a paper we're currently writing up, so I won't bore you with how we got the data, well, not right now. The most frequent hits in google are to:. Note this is without any filtering, or other fancy stuff, just raw search engine hit counts.

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Our projects on Github. The Ying and Yang of Drugs and Targets. Today is election day in the UK, and so it's ones duty to vote, and then spend the rest of the day thinking about just how cool science is. I was thinking the other day on the train, that we don't always want drugs that are benign. Of course we always want drugs that are safe and predictable in action; but mechanistically we sometimes want to do harm, kill a cell, wipe it out entirely - let's call these malign. There are many approaches to t...

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