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

ACD/Labs prides itself in offering our users vendor-neutral tools that allow them to use our software with almost any analytical instrument. For us, that means we need to work closely with many partner organisations to ensure we are compatible with the latest data formats. In this episode, we are talking with Graham McGibbon to learn how great partnerships are forged and maintained. Reach out to Graham: graham.mcgibbon@acdlabs (dot) com Sign-up for the Webinar: https://theanalyticalscientist.videomarketingplatform.co/how-to-overcome-the-challenges-of? Brought to you by ACD/Labs: www.acdlabs.com

At ACD/Labs, we have a unique view of everything happening in the world of chemistry. Our customers include many of the top pharmaceutical, chemical companies in the world, as well as top research institutes and government agencies. That means we are dedicated to understanding the workflows and data flows of scientists from around the world. With 2022 drawing to a close, we thought it would be a great opportunity to share some of that perspective with our audience. Mark Meyers is the VP of sales, which means he is always trying to anticipate the needs of our customers. Hear what trends he is following going into 2023. Link to CAS announcement: https://www.acdlabs.com/resource/cas-and-acd-labs-collaborate-to-provide-predictive-insights-to-scientists/ Brought to you by ACD/Labs: www.acdlabs.com

Regulations regarding chemical software and data can be intimidating. What is software validation? How does that relate to Good Laboratory Practices (GLP) and Good Manufacturing Practices (GMP)? It all begins to sound like legal mumbo jumbo. Luckily, we can help demystify GXP. Dr. Karim Kassam has helped many clients implement ACD/Labs software in regulated environments. In this episode, he will answer common questions about how these different forms of regulation fit together. Brought to you by ACD/Labs: www.acdlabs.com

The last couple of years have been extremely disruptive. Covid-19 even influenced the world of chemistry - scientists changed the way they worked, and conferences moved online. With conferences and trade shows coming back, now is the perfect time to check-in on the field of NMR. Are things returning to normal, or have we shifted to a new normal? Dimitris Argyropoulos and Mary McKee join the podcast to share their experiences at SMASH. They provide insights about the evolving role of conferences, and the direction of NMR research. Learn more about NMR products from ACD/Labs: https://www.acdlabs.com/solutions/nmr-spectroscopy/ Brought to you by ACD/Labs: www.acdlabs.com

Excel plays a critical role in research and development. Everyone from undergraduate students to elite pharmaceutical chemists relies on the program to process, analyze, and store their data. Unfortunately, spreadsheets are not designed to work with chemical information or support collaborative workflows. What’s the alternative? Season 3 of the Analytical Wavelength brings unique perspectives from our team of experts who are working at the frontier of chemistry. In this episode, we talk to Application Scientist Alex Waked about his peer-reviewed paper “Consolidating and Managing Data for Drug Development within a Pharmaceutical Laboratory” that discusses data management issues in pharmaceutical development. Listen, and learn how chemical development researchers can overcome Excel’s data management issues. Read the OPRD paper: https://pubs.acs.org/doi/10.1021/acs.oprd.1c00082 Learn more about Luminata: https://www.acdlabs.com/products/spectrus-platform/luminata/ Brought to you by ACD/Labs: www.acdlabs.com

Our experts at ACD/Labs spend their days working with the best and brightest in the pharmaceutical and chemical industries. For season 3 of the Analytical Wavelength, we wanted to feature members of our team so they could share their unique perspectives on the trends and science and technology. Look forward to new episodes starting in September. Until then, we wanted to share something extra for our loyal listeners. In February 2022, AstraZeneca’s Dr. Andrew Teasdale presented at the ACD/Labs Impurities and Contaminants Virtual Symposium. His talk on n-nitrosamines control was fascinating, and we wanted to share it with you. More presentations from the Impurities and Contaminants Symposium can be found here: https://www.acdlabs.com/resources/resources-library/?_resource_search=impurities&_resource_content_type=webinar Hosts: Jesse Harris Sarah Srokosz Brought to you by ACD/Labs: www.acdlabs.com

AI-assisted drug discovery is all the rage these days. It seems as if new companies and partnerships are being announced every day. Is this a new phenomenon, or an evolution of what has been done in the past? What are the key challenges standing in the way of computer-assisted drug discovery? For the last episode of season 2 of the analytical wavelength we talk with two experts in drug discovery. Dr. Chris Lipinski is famous for introducing the "Lipinski Rule of 5s," the original prediction tool in drug discovery, which he developed at Pfizer. Dr. Olivier Elemento is a professor at Cornell University, where he studies AI-assisted drug discovery More information about Percepta: https://www.acdlabs.com/products/percepta/index.php Hosts: Jesse Harris Charis Lam Brought to you by ACD/Labs: www.acdlabs.com

Chromatography is a powerful a flexible technique at all stages of chemistry research. Whether you are a graduate student attempting purify a compound or a pharmaceutical company attempting to test product quality, an effective chromatographic method is critical. But how do you develop these methods? Optimizing chromatography techniques is notoriously time consuming and frustrating work. Can predictive software increase the productivity of chromatographers? Learn more about chromatography software from ACD/Labs: https://www.acdlabs.com/products/com_iden/meth_dev/autochrom/ Hosts: Jesse Harris Charis Lam Guests: Dr. Scott Van Bramer Dr. Justin Shearer

What is this chemical? This is a problem for scientists since the discovery of the elements. For the modern chemist, software tools can help solve this problem. Computer assisted structure elucidation (CASE) is one of the most powerful and versatile tools available when determining chemical structures. Join Charis and Jesse as they discuss the past, present, and future of CASE. How can CASE help your chemistry? Let’s find out. Learn more about CASE software: https://www.acdlabs.com/products/com_iden/elucidation/struc_eluc/ Hosts: Jesse Harris Charis Lam Guests: Dimitris Argyropoulos Jean-Marc Nuzillard Brought to you by ACD/Labs: www.acdlabs.com

Product safety is critical in the chemical and pharmaceutical industries. Everyone needs to trust the medication they take, the food they eat, and the personal care products they use. Unfortunately, this has required the use of animal testing, which has been a controversial subject for decades. Thanks to scientific advancements, the age of animal testing may soon be in the past. Episode 2 of the Analytical Wavelength explores the role of chemical prediction technology in reducing the need for animal testing. We will talk to experts in the science of animal testing, and the use of QSAR in product safety. Hosts · Jesse Harris · Charis Lam Guest · Dr. Jarrod Bailey Animal Free Research UK · Dr. Steve Gutsell Unilever