GK
@georgekarag.bsky.social
Occasional minion and Dr Chef of Chemistry. Dabbling in organic synthesis, python, automation, and anything I can get my hands on.
ORCID: 0000-0001-5088-6047
ORCID: 0000-0001-5088-6047
New blog post is up:
chemicalg.github.io/2025/10/03/F...
I was looking at functional group recognition. Let me know what you think.
@iwatobipen.bsky.social @apahl.bsky.social @greglandrum.bsky.social @rdkit.bsky.social
chemicalg.github.io/2025/10/03/F...
I was looking at functional group recognition. Let me know what you think.
@iwatobipen.bsky.social @apahl.bsky.social @greglandrum.bsky.social @rdkit.bsky.social
Functional Group Filter
Here is a problem I have come across recently:
chemicalg.github.io
October 12, 2025 at 2:08 PM
New blog post is up:
chemicalg.github.io/2025/10/03/F...
I was looking at functional group recognition. Let me know what you think.
@iwatobipen.bsky.social @apahl.bsky.social @greglandrum.bsky.social @rdkit.bsky.social
chemicalg.github.io/2025/10/03/F...
I was looking at functional group recognition. Let me know what you think.
@iwatobipen.bsky.social @apahl.bsky.social @greglandrum.bsky.social @rdkit.bsky.social
Reposted by GK
Norway is a Socialist Country
It has the largest Government surplus in the world at £2tn with a population of only 5.5m. The UK has a debt of £3tn
It is the happiest country in world, has the best railways in Europe and taxes all fossil fuels at 78%
It has the largest Government surplus in the world at £2tn with a population of only 5.5m. The UK has a debt of £3tn
It is the happiest country in world, has the best railways in Europe and taxes all fossil fuels at 78%
August 21, 2025 at 10:06 AM
Norway is a Socialist Country
It has the largest Government surplus in the world at £2tn with a population of only 5.5m. The UK has a debt of £3tn
It is the happiest country in world, has the best railways in Europe and taxes all fossil fuels at 78%
It has the largest Government surplus in the world at £2tn with a population of only 5.5m. The UK has a debt of £3tn
It is the happiest country in world, has the best railways in Europe and taxes all fossil fuels at 78%
Reposted by GK
I built an offline, open‑source desktop Pixel Art Editor in Python
https://github.com/danterolle/tilf
https://github.com/danterolle/tilf
August 15, 2025 at 3:15 AM
I built an offline, open‑source desktop Pixel Art Editor in Python
https://github.com/danterolle/tilf
https://github.com/danterolle/tilf
Chemists eyes no longer need spectacles!!!
SDLs raise some new safety questions - here we introduce Chemist Eye, a distributed safety monitoring system designed to enhance situational awareness in SDLs. 👏 for Francisco Munguia-Galeano, who tested it for accident recognition by lying repeatedly on the lab floor. www.arxiv.org/pdf/2508.05148
August 13, 2025 at 7:08 AM
Chemists eyes no longer need spectacles!!!
"PhD level expert ..." Well everyone had to start from somewhere before getting their PhD. I am not sure anyone with a PhD in Chemistry started from there though
It still can't electron push - here are some of it's attempts at peracid epoxidation.
The text description of the mechanism is not bad, but not perfect. Seems unable to connect that to images
The text description of the mechanism is not bad, but not perfect. Seems unable to connect that to images
August 9, 2025 at 6:48 AM
"PhD level expert ..." Well everyone had to start from somewhere before getting their PhD. I am not sure anyone with a PhD in Chemistry started from there though
Reposted by GK
Η εθνική πόλο γυναικών νίκησε 12-9 την Ουγγαρία στον τελικό του Παγκοσμίου Πρωταθλήματος
Χρυσό μετάλλιο τα κορίτσια 🥇
Χρυσό μετάλλιο τα κορίτσια 🥇
July 23, 2025 at 2:50 PM
Η εθνική πόλο γυναικών νίκησε 12-9 την Ουγγαρία στον τελικό του Παγκοσμίου Πρωταθλήματος
Χρυσό μετάλλιο τα κορίτσια 🥇
Χρυσό μετάλλιο τα κορίτσια 🥇
Well that was a deep rabbit hole...
happy pi approximation day!
mathoverflow.net/questions/67...
mathoverflow.net/questions/67...
Source and context of $\frac{22}{7} - \pi = \int_0^1 (x-x^2)^4 dx/(1+x^2)$?
Possibly the most striking proof of Archimedes's inequality $\pi < 22/7$ is an integral formula for the difference:
$$
\frac{22}{7} - \pi = \int_0^1 (x-x^2)^4 \frac{dx}{1+x^2},
$$
where the inte...
mathoverflow.net
July 22, 2025 at 5:21 AM
Well that was a deep rabbit hole...
Reposted by GK
happy pi approximation day!
mathoverflow.net/questions/67...
mathoverflow.net/questions/67...
Source and context of $\frac{22}{7} - \pi = \int_0^1 (x-x^2)^4 dx/(1+x^2)$?
Possibly the most striking proof of Archimedes's inequality $\pi < 22/7$ is an integral formula for the difference:
$$
\frac{22}{7} - \pi = \int_0^1 (x-x^2)^4 \frac{dx}{1+x^2},
$$
where the inte...
mathoverflow.net
July 22, 2025 at 4:41 AM
happy pi approximation day!
mathoverflow.net/questions/67...
mathoverflow.net/questions/67...
New blog post is up:
Using network graphs to visualise synthetic routes:
chemicalg.github.io/2025/07/19/R...
Using network graphs to visualise synthetic routes:
chemicalg.github.io/2025/07/19/R...
Synthetic Route Graph visualisation
I have recently been looking into representing chemical routes as network graph objects and specifically directed acyclic graphs (DAGs). DAGs are a well known and established mathematical object, and ...
chemicalg.github.io
July 20, 2025 at 7:30 AM
New blog post is up:
Using network graphs to visualise synthetic routes:
chemicalg.github.io/2025/07/19/R...
Using network graphs to visualise synthetic routes:
chemicalg.github.io/2025/07/19/R...
Reposted by GK
Είπα να αρχίσω γυμναστική, πρώτη μερα μου λένε σκύψτε και προσπαθήστε με τις άκρες των χεριών σας να ακουμπίσετε τα δαχτυλα των ποδιών σας. Οκ λέω, είπαμε να ξεκινήσουμε να γυμναζόμαστε αλλά ας μη φτάσουμε ως τα άκρα.
July 19, 2025 at 11:42 AM
Είπα να αρχίσω γυμναστική, πρώτη μερα μου λένε σκύψτε και προσπαθήστε με τις άκρες των χεριών σας να ακουμπίσετε τα δαχτυλα των ποδιών σας. Οκ λέω, είπαμε να ξεκινήσουμε να γυμναζόμαστε αλλά ας μη φτάσουμε ως τα άκρα.
Pseudo Natural Products: the gift that keeps on giving.
I am amazed by how much a concept I pioneered is still growing. Full credit to the authors for showing how many opportunities are there for the taking!
pubs.acs.org/doi/10.1021/...
I am amazed by how much a concept I pioneered is still growing. Full credit to the authors for showing how many opportunities are there for the taking!
pubs.acs.org/doi/10.1021/...
Pseudonatural Products for Chemical Biology and Drug Discovery
Natural product (NP) structures have provided invaluable inspiration for the discovery of bioactive compound discovery. In the pseudonatural product (PNP) concept unprecedented combinations of NP frag...
pubs.acs.org
July 2, 2025 at 6:50 PM
Pseudo Natural Products: the gift that keeps on giving.
I am amazed by how much a concept I pioneered is still growing. Full credit to the authors for showing how many opportunities are there for the taking!
pubs.acs.org/doi/10.1021/...
I am amazed by how much a concept I pioneered is still growing. Full credit to the authors for showing how many opportunities are there for the taking!
pubs.acs.org/doi/10.1021/...
Reposted by GK
I am looking to hire a protein #biochemist, #biophysicist or structural biologist: efzu.fa.em2.oraclecloud.com/hcmUI/Candid...
- 2-year position working on lipid transport proteins.
- Experience in protein expression, purification and biochemical and biophysical assay development.
Please share!
- 2-year position working on lipid transport proteins.
- Experience in protein expression, purification and biochemical and biophysical assay development.
Please share!
Postdoctoral fellowship in protein biochemistry and biophysics - DTU Chemistry
Do you want to contribute to an exciting chemical biology project? This postdoctoral fellowship deals with the synthesis of probes aimed at studying cholesterol transport proteins in health and diseas...
efzu.fa.em2.oraclecloud.com
June 23, 2025 at 12:40 PM
I am looking to hire a protein #biochemist, #biophysicist or structural biologist: efzu.fa.em2.oraclecloud.com/hcmUI/Candid...
- 2-year position working on lipid transport proteins.
- Experience in protein expression, purification and biochemical and biophysical assay development.
Please share!
- 2-year position working on lipid transport proteins.
- Experience in protein expression, purification and biochemical and biophysical assay development.
Please share!
Reposted by GK
If automating 🤖, coding 🧑💻 and collaborating 🤝 are your thing, we've got a cool job for you!
Applications close 26th June, so don't delay!
careers.astrazeneca.com/job/gothenbu...
#AutomationChemjobs #Chemjobs
Applications close 26th June, so don't delay!
careers.astrazeneca.com/job/gothenbu...
#AutomationChemjobs #Chemjobs
Laboratory Automation Specialist (Data & Workflows) at AstraZeneca
Learn more about applying for Laboratory Automation Specialist (Data & Workflows) at AstraZeneca
careers.astrazeneca.com
June 14, 2025 at 8:42 AM
If automating 🤖, coding 🧑💻 and collaborating 🤝 are your thing, we've got a cool job for you!
Applications close 26th June, so don't delay!
careers.astrazeneca.com/job/gothenbu...
#AutomationChemjobs #Chemjobs
Applications close 26th June, so don't delay!
careers.astrazeneca.com/job/gothenbu...
#AutomationChemjobs #Chemjobs
Really proud to see this one out in its final form.
@georgekarag.bsky.social introduces today's featured article: "Revolutionising digital process design! Our new digital tool uses data-driven experimentation to optimise liquid-liquid extractions. Faster development, smarter decisions, greener processes." Read the paper here: doi.org/10.1039/D5DD...
June 10, 2025 at 2:13 PM
Really proud to see this one out in its final form.
Newest paper out: pubs.rsc.org/en/content/a...
Thank you @digital-discovery.rsc.org for a great editorial process! I am glad to see this one out.
Thank you @digital-discovery.rsc.org for a great editorial process! I am glad to see this one out.
pubs.rsc.org
June 5, 2025 at 3:31 PM
Newest paper out: pubs.rsc.org/en/content/a...
Thank you @digital-discovery.rsc.org for a great editorial process! I am glad to see this one out.
Thank you @digital-discovery.rsc.org for a great editorial process! I am glad to see this one out.
Luca is an excellent scientist and a great person! Make sure you apply if you think your skills are relevant.
I will soon be posting a postdoc position in protein biochemistry/biophyics! Interested candidates are welcome to reach out at luclar@kemi.dtu.dk. Experience in protein expression, purification, and assay development is a must. Structural biology would be great! Please RT :)
May 24, 2025 at 9:53 AM
Luca is an excellent scientist and a great person! Make sure you apply if you think your skills are relevant.
Reposted by GK
The Stockholm Declaration on Chemistry for the Future was launched today: www.stockholm-declaration.org I believe this will be an important guiding document in years to come. Please read, sign, and share!
Home | Stockholm Declaration
www.stockholm-declaration.org
May 23, 2025 at 12:32 PM
The Stockholm Declaration on Chemistry for the Future was launched today: www.stockholm-declaration.org I believe this will be an important guiding document in years to come. Please read, sign, and share!
I have started using uv for my python projects. It's the best thing ever. Handles conflicts better that conda, dead fast, interoperable. It's amazing!
astral.sh/blog/uv
astral.sh/blog/uv
uv: Python packaging in Rust
uv is an extremely fast Python package installer and resolver, designed as a drop-in alternative to pip and pip-tools.
astral.sh
May 21, 2025 at 7:15 PM
I have started using uv for my python projects. It's the best thing ever. Handles conflicts better that conda, dead fast, interoperable. It's amazing!
astral.sh/blog/uv
astral.sh/blog/uv
New blog post about how to add chemical structure to the hover tooltip of a Bokeh plot. Let me know if you find this useful or if you have any suggestions:
chemicalg.github.io/2025/05/21/C...
chemicalg.github.io/2025/05/21/C...
Chemical Structures with Bokeh
Bokeh is a well documented and versatile visualisation package that has a python API. Check out their documentation here.
chemicalg.github.io
May 21, 2025 at 1:21 PM
New blog post about how to add chemical structure to the hover tooltip of a Bokeh plot. Let me know if you find this useful or if you have any suggestions:
chemicalg.github.io/2025/05/21/C...
chemicalg.github.io/2025/05/21/C...
If you see this post your getaway vehicle
May 3, 2025 at 6:10 AM
If you see this post your getaway vehicle
Reposted by GK
As Liverpool win the Premier League for the second time, they complete the opening of a quite remarkable sequence, 33 years in the making.
#Fibonacci
#Fibonacci
April 27, 2025 at 5:10 PM
As Liverpool win the Premier League for the second time, they complete the opening of a quite remarkable sequence, 33 years in the making.
#Fibonacci
#Fibonacci
Reposted by GK
Reposted by GK
Senior manager position available in medicinal chemistry at AstraZeneca Gothenburg: careers.astrazeneca.com/job/gothenbu...
PS. Don't contact me, I'm not involved in hiring. Just follow the link.
PS. Don't contact me, I'm not involved in hiring. Just follow the link.
Senior Director, Medicinal Chemistry Strategy at AstraZeneca
Learn more about applying for Senior Director, Medicinal Chemistry Strategy at AstraZeneca
careers.astrazeneca.com
April 24, 2025 at 7:05 AM
Senior manager position available in medicinal chemistry at AstraZeneca Gothenburg: careers.astrazeneca.com/job/gothenbu...
PS. Don't contact me, I'm not involved in hiring. Just follow the link.
PS. Don't contact me, I'm not involved in hiring. Just follow the link.