📅 Event: Watch the replay of our Discngine Labs Live event 

Setting New Standards in SBDD: Experimental and Predicted Protein Structure Synergies

For this 10th Special Edition of Discngine Labs, we took the event beyond its usual online format and hosted it in person in Cambridge, UK. Over 40 drug discovery experts joined us on-site, with more than 60 attending online, for lively discussions on the potentials and pitfalls of integrating AI in structure-based drug discovery - followed by after - event networking.

The event replay is now available - Watch it here.

📢 Product Launch: Discover 3dpredict/Ab 

Screen tens of thousands of antibody candidates for putative liabilities and developability issues

We have just launched a new product in the biologics discovery space and co-developed with Chemical Computing Group (CCG): 3dpredict/Ab!

3dpredict/Ab is a web-based platform that produces high-quality antibody structure and property predictions at scale. Antibody discovery teams can:

• Quickly identify the best candidates from millions of sequences without any IT hassle
• Rely on the ensemble property calculations for accurate liability predictions 
• Train in-house machine learning models on high-quality data
• Benefit from a simple, user-friendly interface and seamless integration 

Discngine Ideation - SAR Slides, our cloud-based tool for automated Structure-Activity Relationship (SAR) generation, is designed to save medicinal chemists time on manual tasks to focus on compound design decisions. A new version now enables R-Group decomposition-based reporting and analysis as a complementary approach to compound-centric, Matched Molecular Paris-based SAR analysis.

👋 Meet us: Discngine will be at the BioIT!

Discngine is thrilled to sponsor and exhibit at the 24th BioIT World Conference on April 2-4, 2025 in Boston, MA!

Meet our team - Riccardo Martini, Eric Le Roux, Méliné Simsir and Raphaël Berthier at booth #620 to explore how Discngine can meet your research informatics needs for early drug discovery. Our exhibition will feature exciting new products including Ideation SAR Slides and 3dpredict/Ab, along with custom solutions. 

🌟 Ideation SAR Slides product has been selected as a Best of Show Award finalist - stay tuned for the final competition results 🌟

Additionally, we are organizing a Happy Hour networking event with 𝘉𝘈𝘎𝘐𝘔 (𝘉𝘰𝘴𝘵𝘰𝘯 𝘈𝘳𝘦𝘢 𝘎𝘳𝘰𝘶𝘱 𝘧𝘰𝘳 𝘐𝘯𝘧𝘰𝘳𝘮𝘢𝘵𝘪𝘤𝘴 𝘢𝘯𝘥 𝘔𝘰𝘥𝘦𝘭𝘪𝘯𝘨) on April 1st from 6:00 pm to network with the local drug discovery community over food and drinks. 🍻

The event is free of charge, just make sure to register here: https://bit.ly/43jnyHi

Coming soon 🔜

3decision 2.0

In the upcoming major release of 3decision, two key milestones await:

- CCG collaboration: An enhanced registration system aligned with PSILO and integration with MOE

- Biologics features: series of new functionalities for biologics discovery

Stay tuned — this exciting release is coming next month! In the meantime, check out our new brochure. 

Discngine - Bayer success story

Discngine collaborated with chemists and data scientists at Bayer Crop Science to develop a solution that helps overcome the inefficiencies in Structure-Activity Relationship (SAR) report analysis and generation.

>> Read how Discngine Ideation SAR Slides came to life

Partners

CCG UGM & Conference 2025

Peter Schmidtke, our Scientific Project Manager, will present the science behind the new Discngine product with the talk "3dpredict: Scalable High-Quality Developability Predictions" at CCG’s European UGM & Conference in Oxford, UK, May 20-23 and North American one in Montreal, Canada, June 24-27.

CCG’s annual meeting is a four-day event that focuses on applications of computational chemistry in drug design and discovery in biologics and small molecule fields.

>> Final agenda for CCG UGM Europe

Useful Links

3decision Science Blog

Protein of the Month

Discngine Blog

Discngine YouTube Channel

The Discngine Crew

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