Ajay A. Paul George

[Ajay A. Paul George @AjayAbisheck]

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

[BioSolveIT @biosolveit]

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

[BioSolveIT @biosolveit]

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

[BioSolveIT @biosolveit]

Tovorafenib received an FDA approval a few weeks ago and is now the star of this week's 'Gaze into Chemical Space'.

#compchem #medchem #drugdiscovery #drugdesign #virtualscreening #CADD #ChemicalSpace

[BioSolveIT @biosolveit]

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

[BioSolveIT @biosolveit]

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

[BioSolveIT @biosolveit]

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

[BioSolveIT @biosolveit]

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

[BioSolveIT @biosolveit]

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

[Zastra Innovations @ZastraIndia]

Catalyze your drug discovery journey with FastGrow – Pocket Exploration! Explore binding cavities in seconds, screen 100,000+ fragments swiftly.

Link :- https://t.co/Akj2IODbhN

#CADD #MedChem #CompChem #DrugDiscovery #Pharma #Biotech #CRO @biosolveit @ZastraIndia

[BioSolveIT @biosolveit]

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.

[BioSolveIT @biosolveit]

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

[Darryl B McConnell @D_B_McConnell]

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

[BioSolveIT @biosolveit]

SeeSAR is @Optibrium's StarDrop Module of the Month. Check out how both platforms complement each other to make sound decisions in the drug discovery process.

#compchem #medchen #drugdiscovery #drugdesign #CADD #virtualscreening

[BioSolveIT @biosolveit]

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

[BioSolveIT @biosolveit]

We are celebrating the recently announced exclusive partnership with @EnamineLtd with a REAL Space update that features 48 billion drug-like and accessible compounds.
https://t.co/3N4WBZr0P6

#compchem #medchem #drugdiscovery #drugdesign #CADD #virtualscreening

[BioSolveIT @biosolveit]

We highly recommend the upcoming BioSolveIT webinar with Prof. Dr. Laleh Alisaraiewith a twist on how to apply CADD to predict adverse drug reactions and drug delivery.
#CADD #SBDD #drugdiscovery #drugdesign #virtualscreening #medchem #compchem

https://t.co/wIXvgACoor

[BioSolveIT @biosolveit]

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

[Darryl B McConnell @D_B_McConnell]

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.

[BioSolveIT @biosolveit]

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