The new $PEPE has got some next level tek going…

If you like a instantaneous mechanisation wired into animatronics agrotechnology backed up by augmented reality with nanotechnology hardcoded microelectronics with cheminformatics and powered by artificial intelligence this is…

1/2 Hi LatinXChem, presenting my work ‘Mapping the structure-activity landscape of non-cannonical peptides with MAP4 fingerprint’ at #LatinXChem23 #LatinXChemComp #Comp124 Digital Discovery.”

#DrugDesign #PeptideDesign
#Cheminformatics

For more information: pubs.rsc.org/en/content/art…

New PhD and Postdoctoral positions in the group, #hiring for Machine Learning and AI for Drug Discovery. Know anyone who might be interested? #drugdiscovery #ML #cheminformatics #computationalchemistry #computationalbiology
👇
coddia.uniwa.gr/recruitment/

📢 Applications open to join the CAMLC24 workshop, a great opportunity for computational chemists who want to learn about cheminformatics, automation, and machine learning.

🗓️ June 16-19 in Jaca, Spain. With very affordable fees thanks to QuimComp .

👉🏻 camlc24.github.io

I am an igib para-researcher, and thanks to igibians for saving my life during lower limb amputation. After Many challenges I'm excited, this study based on a virtual drug screen using several cheminformatics and simulation against sialidases
CSIR-IGIB tandfonline.com/doi/abs/10.108…

Exploiting Vector Pattern Diversity of Molecular Scaffolds for Cheminformatics Tasks in Drug Discovery | Journal of Chemical Information and Modeling pubs.acs.org/doi/10.1021/ac…

Breakthrough Model Decoding New Medicine 💊

Imagine a world where creating new medicines is easy, that's what scientists at Chapman University have done, drugs to treat diseases.

Using bioinformatics and cheminformatics: the well-known 'Encoder-Decoder Transformer…

Here's a demo of a new project I'm working on with LangChain. Agent system for answering open-ended cheminformatics questions. Question: 'Find a molecule that irreversibly binds to Mpro and count the number of carboxylic acid groups in it.' 1/2

Predicting molecular activity with XGBoost. 📊🧪
Study on feature importance, highlighting the need for expert interpretation. Hyperparameter optimization is crucial. Valuable guidelines for #cheminformatics practitioners. #ML

Paper: link.springer.com/article/10.118…

Super Excited to present my poster'E34' today for #IBRO2023 IBRO - International Brain Research Organization in GRANADA💫 if you are interested in #OMICS & #Cheminformatics approach, come and visit my poster!

PREFER, a Python-based framework powered by AutoSklearn, assists molecular property prediction. Effortlessly compare diverse representations and ML models for accelerated discovery. Open-source on GitHub. 🧪🔬 #Cheminformatics #ML

Details: pubs.acs.org/doi/full/10.10…

Delighted to be presenting my work which combines web scraping and cheminformatics for oral drug product development at the Science Foundation Ireland IrishResearchCouncil Summit 2023! UCC Pharmacy School Brendan Griffin Patrick O'Dwyer Harriet Bennett-Lenane

I am happy to share this paper about pyPept, a python library to easily create, manipulate, and analyze complex #peptides . The paper is open access and available in the Journal of Cheminformatics: jcheminf.biomedcentral.com/articles/10.11…
Code available in Github: github.com/Boehringer-Ing…

Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR doi.org/10.1038/s41573………… #cheminformatics #qsar #deeplearning #drugdiscovery

Talk: 'John Mayfield: Managing and Searching One Trillion Compounds' presented at UCSF DOCK Meeting. #cheminformatics #Arthor #SmallWorld
nextmovesoftware.com/talks/Mayfield…

The first Practical Cheminformatics post of the year is a retrospective of papers published in 2023, “AI in Drug Discovery 2023 - A Highly Opinionated Literature Review”. practicalcheminformatics.blogspot.com/2024/01/ai-in-…

ai research cheminformatics or bioinformatics, kuzey amerika, net aylık 55-125k, r&d firmalarına bakabilirsiniz :)

A new post at Practical Cheminformatics, 'AI in Drug Discovery - A Highly Opinionated Literature Review (Part III)'. Following up on parts I and II, the third post in the series is a collection of review articles published in 2023 that I found helpful.
practicalcheminformatics.blogspot.com/2024/01/ai-in-…

Check the registration of the webinar addressing the main steps of the QSAR workflow: from data curation to model deployment. youtube.com/watch?v=zHA9Pg…

Model studies: alvascience.com/model-studies/

#qsar #moleculardescriptors #cheminformatics #machinelearning

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…