The Analytical Wavelength

In this episode, ACD/Labs Senior Director of Technical and Scientific Services, Karim Kassam joins hosts Jesse and Bally to dive deeper into the importance of ionization. He gives us some insight into the tools available to help accurately predict pKa along with some hints and tips to help improve accuracy in predictions.  

Read more about the importance of ionization in pharmaceutical R&D in this blog post: The Importance of Ionization in Pharmaceutical R&D - ACD/Labs (acdlabs.com) 

Find out how a deeper understanding of ionization can help improve chromatographic separations in this blog post: Improve Chromatographic Separations: Consider Mobile Phase pH & Analyte pKa - ACD/Labs (acdlabs.com) 

MilliporeSigma’s new online digital reference platform, Chemistwin® is a trail blazing digital tool to accelerate workflows in the analytical laboratory.     

In this episode, ChemisTwin® Project Lead Coralie Leonard and R&D Scientist Albert Farre Perez join hosts Sarah and Bally to dive deeper into the driving factors of MilliporeSigma’s reference material business transformation process. They also give us a glimpse into the first version of the platform, and how it will progress to reshape the world of analytical testing. 

Watch Coralie’s presentation from the Driving Efficiencies with Spectrus Virtual Symposium: https://www.acdlabs.com/resource/revolutionizing-chemistry-by-digitalizing-analysis-controls/ 

ChemisTwin trial registration: www.sigmaaldrich.com/ChemisTwin 

Learn more about ACD/Labs: https://www.acdlabs.com/

Rebroadcast of an episode from season 2 on the use of AI in chemistry. Happy holidays!

Dr. Daria Thorp's end-of-year post.
https://www.acdlabs.com/blog/2023-in-review-was-it-a-year-of-ai/

Computational chemistry tools are becoming more powerful every day. Machine learning, artificial intelligence, big data... what does it all mean and how does it apply to the chemistry lab? 

Season 2 of the Analytical Wavelength explores how predictive technology is shaping the future of science. In this episode, we explore the fundamentals of machine learning, and separate the reality from the hype.

Guest

• Valery Tkachenko, Science Data Experts

Learn more about ACD/Labs

Efficiency in R&D helps us be more productive, optimize, and innovate. Our recent virtual symposium “Driving Efficiency with Spectrus” brought together scientists from industry-leading organizations (like GSK, AstraZeneca, Genentech, and more) to share strategies that they have implemented, to: 

• Accelerate structure elucidation and verification by NMR and LC/MS  
• Make method development efficient, robust, and sustainable  
• Manage high throughput chemical and analytical data to speed research  

This episode recaps all 8 presentations and how t to help recaps all 8 presentations and how ACD/Labs’ software on the Spectrus Platform was used to support these workflows. 

Watch the presentation recordings: https://www.acdlabs.com/resources/virtual-symposium-driving-efficiency-with-spectrus/ 

HTE Podcast with Neil Fazekerly: https://www.acdlabs.com/resource/episode-5-reaching-new-heights-with-high-throughput-experimentation/ 

Creating systems for effectively managing analytical chemistry data requires a blend of scientific understanding, technological prowess, and coordinating between teams. That’s why ACD/Labs’ project management team has a critical role to play when deploying analytical chemistry solutions. 

In this episode, hosts Sarah and Jesse discuss project management with Hans de Bie, who has helped many global research companies deploy enterprise analytical data management solutions. The conversation covers both what it takes to effectively manage your data, and how to manage projects successfully. 

Learn more about ACD/Labs
https://www.acdlabs.com/

We all know that data is powerful, but are you maximizing your data?  

Our very own Jesse Harris recently attended ACS Fall 2023, where the theme this year was “Harnessing the Power of Data”. Not only did he present, but he also conducted a survey to gather intel about the use of chemical software. Speaking with a variety of backgrounds, Jesse delved into details about analytical data processing software uses and challenges.  

This conversation with Jesse lets us dive a little deeper into the responses to his survey and discusses some data handling highlights from ACS. 

FAIR Data principles article: https://www.nature.com/articles/sdata201618

Brought to you by ACD/Labs: www.acdlabs.com 

Season 4 of the Analytical Wavelength is about to get started! To kick off the season we wanted to share a bonus episode based on a webinar ACD/Labs ran a couple of months ago on the topic of analytical data management. What is the current state of analytical data, and what are the challenges chemists are facing?

Watch a video version of the webinar here:

https://www.acdlabs.com/resource/how-to-overcome-the-challenges-of-analytical-data-management/

Hosts:

Jesse Harris

Sarah Srokosz

Baljit Bains

Brought to you by ACD/Labs: www.acdlabs.com

Spring is finally here, and you know what else that means - conference season is back! Now is an opportunity to meet chemists from all over to learn about what is happening in the world of science. Sanji Bahl is the Director of the Marketing and Communications team here at ACD/Labs, and she had a chance to attend both Lab of the Future and PittCon in March. We talked about her experience and what she is seeing as the most important trends in chemistry.

This is the last episode of season 3 of the Analytical Wavelength - plan to return with season 4 in the fall of 2023, though we may share a bonus episode over the summer, so don’t forget to subscribe!

Read the press release about our partnership with ELSIE: https://www.acdlabs.com/resource/elsie-consortium-and-acd-labs-announce-partnership-to-develop-safety-materials-database-for-el-research-at-pittcon-2023/

Brought to you by ACD/Labs: www.acdlabs.com 

Developing safe medicines is hard work. Researchers must rigorously assess every drug candidate molecule to ensure it does not harm patients. Cardiotoxicity - toxicity to the heart - is one of the factors that scientists consider.

Members of the ACD/Labs team, Kiril Lanevskij, Remigijus Didziapetris, and Andrius Sazonovas recently published a paper on the subject of predicting hERG inhibition, a property critical for assessing cardiotoxicity. This conversation with Andrius and Kiril discusses what hERG inhibition is, and how they were able to build a model using the unusual data available.

Read the paper: https://doi.org/10.1007/s10822-022-00483-0

Brought to you by ACD/Labs: www.acdlabs.com

What does digitalization mean when it comes to analytical data? Who does it help? How does it enable automation, AI, and machine learning? 

Feel like you have more chemical data digitalization questions than answers? Our team of experts at ACD/Labs is ready to assist with your digitalization, automation, and innovation goals. Richard Lee joins us in this episode to share his insights on how to minimize disruption, maximize efficiency, and ensure success in digital transformation.

Link to Richard’s article in The Analytical Scientist: https://theanalyticalscientist.com/techniques-tools/five-digitalization-tips-from-richard-lee

Brought to you by ACD/Labs: www.acdlabs.com