Are you interested in learning how to convert images to chemical structures directly in your clipboard? Join my talk at the Cambridge Cheminformatics Meeting today at 16:00 UK time (cam-ac-uk.zoom.us/meeting/regist…), where I'll explain how the Clipboard-to-SMILES-Converter was build.

I've added four new tutorials to the 'Fundamentals' section of 'Practical Cheminformatics Tutorials', bringing the total number of Jupyter notebooks to 28.

All the tutorials can be run on Google Colab without installing any software locally.

github.com/PatWalters/pra…

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'Universal chemical programming language for robotic synthesis repeatability' ⤵️
University of British Columbia &+

With #NSERCsupport .
#Cheminformatics

Cross-column density functional theory–based quantitative structure-retention relationship model development powered by #MachineLearning
#chromatography #HPLC #QSRR #cheminformatics

link.springer.com/article/10.100…

In this blog post I explore what it means to say that a drug has been designed by #AI (re-post) #DrugDesign #MedChem #cheminformatics fbdd-lit.blogspot.com/2023/07/ill-st…

Sharing is caring 🧬🧮 github.com/volkamerlab/op…

github.com/PatWalters/pra…

Deep Learning Scientist Intern, Cheminformatics and Virtual Screening
Trillion Technology Solutions

illbeback.ai/job/deep-learn…

Follow to be updated on new #jobs in #AI !

#ML #AI Jobs #AI Talent #hiring
#AI Training #DeepLearning #Research
#Reston
illbeback.ai/job/deep-learn…

Two weeks workshop on Molecular Docking - Principles and Applications from 14 - 25 May.
bioinfo.guru/workshops

#bioinformatics #biotechnology #pharmacology #Cheminformatics #drugdiscovery #docking #workshop #virtualscreening #cheminformatics #research #upskill #bioinfoGuru

Research Training, Workshop, Internships, Dissertation and Projects 2024

📞 Contact us now at 91-8375990145
[email protected] or [email protected]

#bioinformatics #cheminformatics #molelixirinformatics #Chemistry

Two weeks workshop on Molecular Docking - Principles and Applications from 23 April - 4 May 2024.
bioinfo.guru/workshops

#bioinformatics   #biotechnology   #drugdiscovery   #pharmacology #docking   #workshop #virtualscreening   #cheminformatics #research #upskill   #bioinfoguru

Two weeks workshop on Molecular Docking - Principles and Applications from 14 - 25 May.
bioinfo.guru/workshops

#bioinformatics   #biotechnology #pharmacology #Cheminformatics   #drugdiscovery   #docking   #workshop #virtualscreening   #cheminformatics #research #upskill   #bioinfoGuru

創薬化学者の暗黙知を指標へと明示化する試み。半年前の論文に今気づいて興味を持ちました。使ってみたいが私では技術が足りない…
github.com/microsoft/mols…
Practical CheminformaticsのPat Waltersさんの検証結果です。 practicalcheminformatics.blogspot.com/2023/04/gettin…

Just used #alphafold3 to model a voltage gated ion channel with over 2000+ residues. Wayy faster than using the i-Tasser server!
#structuralbiology #molecularmodeling #computationalchemistry #cheminformatics

The synergy between LLMs and GNNs is opening new frontiers in AI, especially in fields like cheminformatics and network science.

Using LLMs to encode textual attributes in GNNs has shown significant performance gains, proving that the future of AI lies in cross-disciplinary…

Thank you all for joining us at the #Cheminformatics Network Meeting at the CCDC. It was an inspiring afternoon of listening, learning, and discussing #chemistry , #AI , and #datascience .

To be updated about our future events, please visit ccdc-info.com/3UT1tLn.

We invite you to contribute and participate in the 18th German Conference on Cheminformatics (GCC 2024), taking place on Nov 3-6, 2024 in Bad Soden am Taunus (near Frankfurt am Main), H+ Hotel.

Please see further information on the conference website:

gdch.de/gcc2024.

Ok it's not a peer-reviewed pub but the blog post on what we've been building in drug discovery Deep Origin is finally out!!

#drugDiscovery #computationalChemistry #docking #cheminformatics #compChem #AI #ML #biotech

deeporigin.com/blog/we-spill-…

Opportunity for scientist with #AI / #ML focus in small molecule #DrugDesign at Bristol Myers Squibb (Cambridge Crossing MA USA) #CADD #cheminformatics #CompChem #ChemJobs jobs.bms.com/careers/job/13…

Cheminformatics and QSAR-Based Identification of Natural Bioactive Compounds as Potent Inhibitors of SARS-CoV-2 N-7 Methyltransferases (Jitendra Satija and co-workers) onlinelibrary.wiley.com/doi/10.1002/sl…