Cheminformatics job @chemjobber.bsky.social roche.wd3.myworkdayjobs.com/roche-ext/jo... #compchem #cheminfo #chemsky
Library Enhancement, Data and Cheminformatics Scientist
Roche fosters diversity, equity and inclusion, representing the communities we serve. When dealing with healthcare on a global scale, diversity is an essential ingredient to success. We believe that i...
roche.wd3.myworkdayjobs.com
February 19, 2025 at 7:56 AM
Cheminformatics job @chemjobber.bsky.social roche.wd3.myworkdayjobs.com/roche-ext/jo... #compchem #cheminfo #chemsky
Welcome to the team, Dr. Kohulan Rajan @kohulanr.bsky.social! 🎉
He joins our Beilstein ChemInfo Labs from Prof. Steinbeck's group at Uni Jena @uni-jena.de, bringing expertise in AI/ML for chemistry and open-source cheminformatics. We're thrilled to have him on board!
➡️ tinyurl.com/yupwfa4c
He joins our Beilstein ChemInfo Labs from Prof. Steinbeck's group at Uni Jena @uni-jena.de, bringing expertise in AI/ML for chemistry and open-source cheminformatics. We're thrilled to have him on board!
➡️ tinyurl.com/yupwfa4c
April 2, 2026 at 1:01 PM
Welcome to the team, Dr. Kohulan Rajan @kohulanr.bsky.social! 🎉
He joins our Beilstein ChemInfo Labs from Prof. Steinbeck's group at Uni Jena @uni-jena.de, bringing expertise in AI/ML for chemistry and open-source cheminformatics. We're thrilled to have him on board!
➡️ tinyurl.com/yupwfa4c
He joins our Beilstein ChemInfo Labs from Prof. Steinbeck's group at Uni Jena @uni-jena.de, bringing expertise in AI/ML for chemistry and open-source cheminformatics. We're thrilled to have him on board!
➡️ tinyurl.com/yupwfa4c
We're #hiring! 💻💊
Our @compchem-icr.bsky.social team is seeking to recruit a #postdoc to contribute to breakthrough cancer #drugdiscovery at @icr.ac.uk
📅 Application deadline: 12-September-2025
📍 Centre for Cancer Drug Discovery, Sutton, UK
jobs.icr.ac.uk/vacancies/13...
#CADD #compchem #cheminfo
Our @compchem-icr.bsky.social team is seeking to recruit a #postdoc to contribute to breakthrough cancer #drugdiscovery at @icr.ac.uk
📅 Application deadline: 12-September-2025
📍 Centre for Cancer Drug Discovery, Sutton, UK
jobs.icr.ac.uk/vacancies/13...
#CADD #compchem #cheminfo
Postdoctoral Training Fellow - In Silico Medicinal Chemistry in Sutton | The Institute of Cancer Research
View details and apply for this Postdoctoral Training Fellow - In Silico Medicinal Chemistry vacancy in Sutton.
Salary: Dependent on relevant Postdoctoral experience.
Thi...
jobs.icr.ac.uk
August 30, 2025 at 10:40 AM
We're #hiring! 💻💊
Our @compchem-icr.bsky.social team is seeking to recruit a #postdoc to contribute to breakthrough cancer #drugdiscovery at @icr.ac.uk
📅 Application deadline: 12-September-2025
📍 Centre for Cancer Drug Discovery, Sutton, UK
jobs.icr.ac.uk/vacancies/13...
#CADD #compchem #cheminfo
Our @compchem-icr.bsky.social team is seeking to recruit a #postdoc to contribute to breakthrough cancer #drugdiscovery at @icr.ac.uk
📅 Application deadline: 12-September-2025
📍 Centre for Cancer Drug Discovery, Sutton, UK
jobs.icr.ac.uk/vacancies/13...
#CADD #compchem #cheminfo
A huge welcome to the newest member of our team, Dr. Christoph Müller! Christoph will be an invaluable addition to the Beilstein ChemInfo Labs and putting his skills to work to help us further develop the #InChI project.
➡️ https://tinyurl.com/yupwfa4c
@inchi-trust.bsky.social
➡️ https://tinyurl.com/yupwfa4c
@inchi-trust.bsky.social
August 13, 2025 at 1:03 PM
A huge welcome to the newest member of our team, Dr. Christoph Müller! Christoph will be an invaluable addition to the Beilstein ChemInfo Labs and putting his skills to work to help us further develop the #InChI project.
➡️ https://tinyurl.com/yupwfa4c
@inchi-trust.bsky.social
➡️ https://tinyurl.com/yupwfa4c
@inchi-trust.bsky.social
Try to use new version of compound generator REINVENT4 #reinvent #RDKit #cheminfo iwatobipen.wordpress.com/2023/12/03/t...
December 3, 2023 at 1:25 AM
Try to use new version of compound generator REINVENT4 #reinvent #RDKit #cheminfo iwatobipen.wordpress.com/2023/12/03/t...
New code for evaluating ligand strain calculation #RDKit #StrainRelief #Cheminfo
Japanese summer is very hot and humid most days. It's not so good for running.It's important to stay hydrated. I'm keeping my lunch time 5km Running when I work from home. I could have time to read scientific articles…
Japanese summer is very hot and humid most days. It's not so good for running.It's important to stay hydrated. I'm keeping my lunch time 5km Running when I work from home. I could have time to read scientific articles…
New code for evaluating ligand strain calculation #RDKit #StrainRelief #Cheminfo
Japanese summer is very hot and humid most days. It's not so good for running.It's important to stay hydrated. I'm keeping my lunch time 5km Running when I work from home. I could have time to read scientific articles in this weekend fortunately and found interesting article in Arxiv. I would like to share the nice research. And the article published from JCIM recently.
iwatobipen.wordpress.com
July 6, 2025 at 1:31 PM
New code for evaluating ligand strain calculation #RDKit #StrainRelief #Cheminfo
Japanese summer is very hot and humid most days. It's not so good for running.It's important to stay hydrated. I'm keeping my lunch time 5km Running when I work from home. I could have time to read scientific articles…
Japanese summer is very hot and humid most days. It's not so good for running.It's important to stay hydrated. I'm keeping my lunch time 5km Running when I work from home. I could have time to read scientific articles…
Opportunity for #cheminformatics developer at AI|ffinity s.r.o. (Czechia) duration: 2 years years #CADD #CompChem #AL #ML #EUChemJobs #ChemJobs #chemsky 🧪
www.researchjobs.cz/job/cheminfo...
www.researchjobs.cz/job/cheminfo...
Cheminformatics Developer
AI|ffinity s.r.o. is seeking a talented and enthusiastic Cheminformatician to join our scientific team. We are developing an integrated NMR-AI platform with applications in drug discovery and prote…
www.researchjobs.cz
September 10, 2024 at 7:02 AM
Opportunity for #cheminformatics developer at AI|ffinity s.r.o. (Czechia) duration: 2 years years #CADD #CompChem #AL #ML #EUChemJobs #ChemJobs #chemsky 🧪
www.researchjobs.cz/job/cheminfo...
www.researchjobs.cz/job/cheminfo...
ah. Ja gibt Sinn, aber glaub dass das dann personengebundene Accounts braucht die die bei Cheminfo dann zu einer Organisation zuordnen. Ich hab inner Ortung keine Berührungspunkte mit dem Spaß, daher nur Wissen aus 2. Hand.
April 21, 2025 at 2:15 PM
ah. Ja gibt Sinn, aber glaub dass das dann personengebundene Accounts braucht die die bei Cheminfo dann zu einer Organisation zuordnen. Ich hab inner Ortung keine Berührungspunkte mit dem Spaß, daher nur Wissen aus 2. Hand.
Happy to share the pre-print of our latest work, evaluating the performance of ADME models built on our previously published surrogate dataset (doi.org/10.1038/s414...)! #Medsky #Pharmsky #ChemInfo
chemrxiv.org/doi/full/10....
chemrxiv.org/doi/full/10....
Surrogate Machine Learning Models for ADME Prediction: From Synthetic Labels to Experimental Data | ChemRxiv
Optimization of absorption, distribution, metabolism, and excretion (ADME) properties
is central to small-molecule drug discovery, yet is often constrained by limited access
to large and consistent ex...
chemrxiv.org
June 23, 2026 at 11:45 AM
Happy to share the pre-print of our latest work, evaluating the performance of ADME models built on our previously published surrogate dataset (doi.org/10.1038/s414...)! #Medsky #Pharmsky #ChemInfo
chemrxiv.org/doi/full/10....
chemrxiv.org/doi/full/10....
Registrieren bei Cheminfo kannst dich auch so und dann Bestätigung von deinem Zugführer plus Scan vom Helferausweis nachreichen dann kriegst auf GSA auch die Freischaltung. So läufts jedenfalls bei der FW wo ne Freundin is
April 21, 2025 at 1:36 PM
Registrieren bei Cheminfo kannst dich auch so und dann Bestätigung von deinem Zugführer plus Scan vom Helferausweis nachreichen dann kriegst auf GSA auch die Freischaltung. So läufts jedenfalls bei der FW wo ne Freundin is
Check out our new paper available as preprint: chemrxiv.org/engage/chemr...
Enhancing Bioassay Annotations in ChEMBL with Artificial Intelligence
As the volume and diversity of bioactivity data in ChEMBL continues to grow, ensuring that assay metadata is standardized, interoperable, and machine-readable is critical for effective use in cheminfo...
chemrxiv.org
September 18, 2025 at 10:26 AM
Check out our new paper available as preprint: chemrxiv.org/engage/chemr...
Why you don't ask? I have 5 overleaf tabs open:
- Grant proposal
- Application(s)
- Paper (ICLR deadline)
- Paper (Nice one, so close ...)
- Paper (Smallish task-specific cheminfo library written but no paper yet)
- Grant proposal
- Application(s)
- Paper (ICLR deadline)
- Paper (Nice one, so close ...)
- Paper (Smallish task-specific cheminfo library written but no paper yet)
September 21, 2023 at 2:21 PM
Why you don't ask? I have 5 overleaf tabs open:
- Grant proposal
- Application(s)
- Paper (ICLR deadline)
- Paper (Nice one, so close ...)
- Paper (Smallish task-specific cheminfo library written but no paper yet)
- Grant proposal
- Application(s)
- Paper (ICLR deadline)
- Paper (Nice one, so close ...)
- Paper (Smallish task-specific cheminfo library written but no paper yet)
In case it's helpful, we've made a clean, open version here (along with several other cheminfo datasets). It hasn't been stress tested yet, so feedback on the cleanliness is welcome! huggingface.co/datasets/scb...
scbirlab/fang-2023-biogen-adme · Datasets at Hugging Face
We’re on a journey to advance and democratize artificial intelligence through open source and open science.
huggingface.co
December 16, 2025 at 12:29 PM
In case it's helpful, we've made a clean, open version here (along with several other cheminfo datasets). It hasn't been stress tested yet, so feedback on the cleanliness is welcome! huggingface.co/datasets/scb...
The use of Cannabis for medicinal purposes in Egypt goes back thousands of years! Remedies were administered various ways including topically, orally, and by suppository. Evidence of this use can be found documented on various ancient medical papyri dating all the way back to 1700 BC.
March 26, 2025 at 9:46 PM
The use of Cannabis for medicinal purposes in Egypt goes back thousands of years! Remedies were administered various ways including topically, orally, and by suppository. Evidence of this use can be found documented on various ancient medical papyri dating all the way back to 1700 BC.
Accelrys Unveils Industry-First, Enterprise-Wide Cheminformatics Suite http://www.businesswire.com/news/home/20111010006419/en/Accelrys-Unveils-Industry-First-Enterprise-Wide-Cheminformatics-Suite via @BusinessWire
Accelrys Unveils Industry-First, Enterprise-Wide Cheminfo...
Accelrys announces the new Accelrys Cheminformatics Suite...
www.businesswire.com
December 7, 2024 at 10:46 AM
Accelrys Unveils Industry-First, Enterprise-Wide Cheminformatics Suite http://www.businesswire.com/news/home/20111010006419/en/Accelrys-Unveils-Industry-First-Enterprise-Wide-Cheminformatics-Suite via @BusinessWire
ChEMBL multitask prediction with python requrests #memo #chembl #cheminfo iwatobipen.wordpress.com/2023/12/29/c... @iwatobipenより
December 29, 2023 at 8:57 AM
ChEMBL multitask prediction with python requrests #memo #chembl #cheminfo iwatobipen.wordpress.com/2023/12/29/c... @iwatobipenより
I too, about cheminfo write.
November 30, 2024 at 12:55 PM
I too, about cheminfo write.
Did you know that the Beilstein-Institut has always been a digital innovator in chemistry - from the Beilstein Database in the ‘80s to the digital infrastructure and standards in chemistry projects supported in the current Beilstein ChemInfo Labs 🧪💻?
➡️ […]
[Original post on hessen.social]
➡️ […]
[Original post on hessen.social]
April 29, 2026 at 1:00 PM
Did you know that the Beilstein-Institut has always been a digital innovator in chemistry - from the Beilstein Database in the ‘80s to the digital infrastructure and standards in chemistry projects supported in the current Beilstein ChemInfo Labs 🧪💻?
➡️ […]
[Original post on hessen.social]
➡️ […]
[Original post on hessen.social]
Welcome to the team, Dr. Kohulan Rajan @Kohulan 🎉!
He joins our Beilstein ChemInfo Labs from Prof. Steinbeck's group at Uni Jena @unijena expertise in AI/ML for chemistry and open-source cheminformatics. We're thrilled to have him on board!
➡️ […]
[Original post on hessen.social]
He joins our Beilstein ChemInfo Labs from Prof. Steinbeck's group at Uni Jena @unijena expertise in AI/ML for chemistry and open-source cheminformatics. We're thrilled to have him on board!
➡️ […]
[Original post on hessen.social]
April 2, 2026 at 1:06 PM
Welcome to the team, Dr. Kohulan Rajan @Kohulan 🎉!
He joins our Beilstein ChemInfo Labs from Prof. Steinbeck's group at Uni Jena @unijena expertise in AI/ML for chemistry and open-source cheminformatics. We're thrilled to have him on board!
➡️ […]
[Original post on hessen.social]
He joins our Beilstein ChemInfo Labs from Prof. Steinbeck's group at Uni Jena @unijena expertise in AI/ML for chemistry and open-source cheminformatics. We're thrilled to have him on board!
➡️ […]
[Original post on hessen.social]