I've been seeing "AI enthusiasts" on the platform going wild about #SearchGPT! I'm wondering if this is just @perplexity_ai with a fresh coat of paint? Will it truly revolutionize "search" or simply rehash existing features under the #OpenAI banner?
#AI#PerplexityAI
Our next webinar highlights the new features of the most recent release of the drug discovery software platforms SeeSAR and infiniSee.
We will talk about sophisticated covalent docking, Chemical Space exploration and much more.
July 11 4pm Berlin Time
https://t.co/XbQCesqJG4
Here is your quick rundown on the just-released infiniSee 6.1 update:
🟦 R group search in the Motif Matcher
🟦 Generation of ad hoc libraries
🟦 Support of semi-metals (Ge, As, Sb, Te)
🟦 Distinct similarity columns in the Analyzer Mode
🟦 And many more
https://t.co/7W0DeS0xwC
Gazing at filorexant, an orexin receptor antagonist. These are the best ranking results for each method and Chemical Space, respectively. Another millions can be mined with the respective tools to discover pleasant surprises and novel leads.
#compchem#medchem#virtualscreening
In our novel weekly series "A Gaze into Chemical Space" we embark on a journey through trillion-sized compound collections to uncover their possibilities. Using infiniSee's modes we examine chemistry from diverse similarity perspectives. 1/2
#medchem#compchem#drugdiscovery
We're excited to announce the availability of updates for our command-line Chemical Space exploration and navigation tools, which include several new features including the incorporation of SMARTS support in SpaceMACS!
#compchem#medchem#CADD
https://t.co/JNer2GEk3Y
How to take FBDD to the next level by increasing access to fragment-associated compounds from hundreds to thousands or even millions is just one of the few topics of the next webinar.
Join us on the Chemical Space Exploration journey!
https://t.co/Aj9DcoRxbM
#compchem#medchem
Have you already visited our new page on Chemical Spaces?
Have a quick read on the next generation of massive compound collections and why they display significant potential for uncovering novel IP and relevant chemistry for small molecule drug discovery.
https://t.co/8moBgCUngu
Come by and get in touch with Beatriz Büschbell and @GastreichM at the Alpine Winter Conference on Medicinal and Synthetic Chemistry in Sankt Anton. BioSolveIT brings you to new heights and empowers you to explore compound numbers as vast as the snowflakes gracing the Alps.
Our next workshop is dedicated to design of kinase inhibitors.
Registration is open!
Topic include:
🟩 Fragment-growing
🟩 Scaffold hopping
🟩 Optimization
🟦 Chemical Space exploration
Highly informative for #medchem#compchem beginners and veterans!
https://t.co/Myu8Utpm5W
The Rule of Two for Oral Drugs is finally out in written form. It´s even simpler than Lipinski as you only have to worry about H-bond donor count and lipophilicity.
"Don´t go over 4 for H-bond donor count & stay between -1 and 5.5 for ClogP"
https://t.co/ewHKKHBVHG
Introducing our latest command-line tool: The Conformator, designed to produce 3D molecular ensembles for your computer-aided drug discovery processes.
eel free to download the application and assess its capabilities firsthand.🔻
https://t.co/VicyLlX2zJ
#compchem#medchem
The third version of eMolecules' trillion-sized Chemical Space "eXplore" is now available for download.
Tailored to include the most recent set of exclusive building blocks and fine-tuned chemical reactions to provide accessible and tangible molecules.
https://t.co/C2tcLpREiP
Here's what a sigma hole actually looks like. How can you say chemistry is not cool when you look at that. Thanks to @EraChair for sharing the Kelvin probe force microscopy paper.
Scientific Challenge project of the week is very ambitious: Simplice Koudjina from National University of Sciences, Technology, Engineering and Mathematics investigates several targets using SeeSAR and infiniSee.
Read more 🔻
https://t.co/VvblcbtUGM
#compchem#medchem#CADD