The Analytical Wavelength

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/s10822-022-00483-0Brought 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-leeBrought 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) comSign-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.1c00082Learn 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=webinarHosts:Jesse HarrisSarah SrokoszBrought 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 discoveryMore information about Percepta: https://www.acdlabs.com/products/percepta/index.phpHosts:Jesse HarrisCharis LamBrought 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 HarrisCharis Lam Guests:Dr. Scott Van BramerDr. 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 HarrisCharis Lam Guests:Dimitris ArgyropoulosJean-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

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.Hosts Jesse Harris Charis Lam GuestValery Tkachenko, Science Data ExpertsLearn more about ACD/Labs

Season 2 of the Analytical Wavelength is almost here, and it's all about chemical predictions! We are going to cover machine learning, NMR, toxicology, and more! Be sure to subscribe so you never miss an episode. The Analytical Wavelength is a podcast about chemical knowledge and data in the pharmaceutical, agrochemical, and related industries brought to you by ACD/Labs. Hosts Charis Lam and Jesse Harris will introduce you to a wide range of experts who are shaping the future of the chemical industry.Email: media@acdlabs.comWebsite | LinkedIn | Twitter | Facebook Hosting and Production: Charis Lam Hosting and Editing: Jesse Harris  Copyright ACD/Labs, 2021

Hi folks! We are hard at work putting together season 2, and we are really excited to share it! We wanted to share a bonus episode to fill in the time while you wait. This is the audio from a webinar given by three Pfizer scientists, explaining how they used the ACD/Spectrus platform to support the creation of a scientific library.Expect new episodes in early March, and don't forget to subscribe!

High-throughput experimentation is back again. It's actually been with us for decades, but companies paying more attention to this powerful approach to chemistry. They've solved some old problems, gained a better understanding of how to design HTE studies, and realized the data-science potential unlocked by high throughput chemistry. Join us on a 4-decade journey through HTE. From the 80s and early 90s, to what's happening in pharmaceutical labs today, and what scientists hope for in the future, you'll hear it on Episode 5 of The Analytical Wavelength.  Hosts Jesse Harris Charis Lam Guests  Ralph Rivero, Senior Principal Visioneer, 20/15 Visioneers Neal Fazakerley, Scientific Team Leader, GSK Links 20/15 Visioneers: https://20visioneers15.com/5 Things to Consider When Creating or Expanding HTE Labs: https://blog.acdlabs.com/acdlabs/2021/07/5-things-to-consider-when-creating-or-expanding-hte-labs.html) Smash the Bottleneck of Analytical Data Processing in High Throughput Experimentation: https://www.acdlabs.com/company/events/eventinfo.php?id=668

The pharmaceutical and chemical industries have changed a lot in recent decades – has chemistry education kept up?  What skills are industry looking for now? Are universities and high schools meeting those needs? What do students need to do to be competitive in the chemistry workforce of tomorrow?  Join us in Episode 4 for insightful perspectives on the future of chemistry, as well as stories of how Lego can be used to teach programing.  Links  Learn more about Spectrus JS – enjoy a 50% discount until August 31, 2021 https://www.acdlabs.com/products/spectrus/spectrus-js/  Read more about Michelle’s research into transferrable skill recognition: Undergraduate recognition of curriculum-related skill development and the skills employers are seeking - Chemistry Education Research and Practice (RSC Publishing) DOI:10.1039/C8RP00105G Article about ROAR from C&EN: https://cen.acs.org/synthesis/Automation-people-Training-new-generation/97/i42  Information about the rEaCt CDT programme: https://www.imperial.ac.uk/next-generation-synthesis-reaction-technology/the-cdt-programme/ Details about the ROAR facility: https://www.imperial.ac.uk/rapid-online-analysis-of-reactions Video introduction to ROAR’s work: https://www.youtube.com/watch?v=9k9SgkRUIi0 People  Charis Lam  Jesse Harris  Sarah Mathers Mimi Hii (https://www.imperial.ac.uk/people/mimi.hii) Michelle Hill (https://www.linkedin.com/in/michelle-hill-74181a156/)   

What do a racecar and an LC/MS system have in common? They’re both sophisticated machines whose performance must be measured by applicable standards. Scientists have long recognized the importance of standards, but with improvements in technology, the way we set them has changed. How can we use standardization to better communicate cutting-edge science? How can we improve our efficiency as chromatographers through data sharing? Join us in Episode 3 to hear the racecar analogy, learn about method standardization, and catch a mention or two of vampire bats. Links Learn how scientific information libraries help with data standardization at Pfizer. Pankaj was a guest for this webinar: Creating a Scientific Information Library Using ACD/Spectrus Platform, December 9, 2020 | ACD/Labs (acdlabs.com) https://www.acdlabs.com/resources/webinars/pfizer-webinar20/index.phpLearn more about the cross-industry consortia mentioned in Ben and Pankaj’s interviews: European Bioinformatics Institute (EBI) https://www.ebi.ac.uk/ Proteomics Identifications Database (PRIDE) https://www.ebi.ac.uk/pride/ Allotrope Foundation https://www.allotrope.org/Pistoia Alliance https://www.pistoiaalliance.org/People Charis Lam Jesse Harris Ben Neely, Research Chemist, NIST (https://www.linkedin.com/in/benaneely/)  Pankaj Aggarwal, Associate Principal Scientist, Merck (https://www.linkedin.com/in/pankajaggarwal1/)  

What technology do you use at work? How well does it work for you? And what tech are you hoping and praying will land on your lab bench or computer one day? Technology scouting is the process of identifying gaps in a business that can be filled with new tech. Maybe it's the manual copying-and-pasting of data that could be automated. Maybe it's a cool experiment that could be done with a new instrument. Whatever the gap, finding a good solution requires a thought-through approach. How should you approach tech scouting to get the best possible outcome for your work and your organization? Join us in Episode 2 to learn how to evaluate your technology toolbox.   Subscribe: Apple Podcasts | Spotify | Google Podcasts   Read the full transcript  Hosts: Jesse Harris, Marketing Communications Specialist, ACD/Labs Charis Lam, Marketing Communications Specialist, ACD/Labs Guest: Andrew Anderson, Vice President of Innovation and Informatics Strategy, ACD/Labs Links: Andrew's blog post on technology scouting https://blog.acdlabs.com/acdlabs/2020/12/a-guide-to-software-evaluation-for-busy-scientists-remember-to-mind-the-gap-having-just-marked-my-5-year-anniversary-back-w.html Andrew's LinkedIn https://www.linkedin.com/in/andrew-anderson-173b7a/ 

Mass spectrometry has changed a lot over the last 20 years, and it’ll change even more over the next 20. Some of that change has been driven by hardware advances, but we’re also capable of collecting, analyzing, organizing, and storing a lot more data. How have the last 20 years looked, and what are the most promising new advances? What’s the 1100101 on data in mass spectrometry? Are machine learning and AI going to make a difference in MS.Join us in Episode 1.Email: media@acdlabs.com Website | LinkedIn | Twitter | Facebook Hosting and Production: Charis Lam Hosting and Editing: Jesse Harris  Copyright ACD/Labs, 2021