25 LIMS & Lab Automation


The minimum data set that is necessary for accurate and effi cient ASV is not generally defi ned. However, this same audience mostly agreed that HRMS and 1D 1H NMR data, which can both be obtained relatively quickly, are generally necessary. Whereas more time-consuming experiments such a 1D 13C NMR, 2D NMR, and chromatography may be skipped, particularly for structures that are previously known.


But this doesn’t mean that those working with novel structures cannot benefi t from ASV. For this subset, the benefi ts of databasing spectral data are immediate and real. While no commercial database will contain the novel structures being investigated in your organisation. The accuracy of NMR prediction for novel chemical space can be improved with the addition of even small amounts of your own curated data.


“Accurate prediction is very important for our automated structure verifi cation process and we’ve seen excellent results from training the NMR predictors DB with or own data over the years.”


Celine Nguyen-van-dau, Sanofi The Path to ASV is Made Up of Many Steps


With the ever-increasing number of stories of automation in scientifi c workfl ows, it’s easy to feel intimidated and overwhelmed. However, while some organisations have begun to adopt and benefi t from ASV, we found that most of our Structure Elucidation & Verifi cation Symposium audience (70%) are still only doing manual structure verifi cation. All the while, 20% have less that half of their structure verifi cation automated and only 5% reported fully automated structure verifi cation.


At the same time, we asked this audience where they were in their journey towards automated data analysis, including ASV. The large majority (77%) reported that they are adopting automation, with most being in the early or middle stages of their implementation.


While only 7% report using automation in their daily workfl ows, they are not the only ones reaping the benefi ts of automation. The overall time savings of even partially automated structure elucidation and verifi cation can add up quickly in a variety of environments.


In open-access labs, minimised experiment time frees up instrument time and can distribute analysis time savings across a variety of diverse teams within an organisation. Similarly, the large quantity of samples in high-throughput structure verifi cation workfl ows mean the time and resources saved with ASV can be substantial.


So, while modern workfl ows still rely heavily on manual structure determination, it appears that the industry is overwhelmingly in favour of adopting automated data analysis to free up scientists’ time for more novel pursuits.


For those in a similar situation to almost a quarter of the audience who have no immediate plans to automate their data analysis, it’s essential to recognise that the gap between organisations embracing automation and those lagging behind will continue to widen. Therefore, now is an opportune moment to consider how ASV can help alleviate bottlenecks in your workfl ows.


For decades, ACD/Labs has been committed to supporting scientifi c experts from many of the world’s leading biopharmaceutical and chemical companies in identifying, verifying, and elucidating chemical structures.


Our experts and fl exible software solutions can help you strategically build towards your organisation’s automated data analysis goals.


Read, Share and Comment on this Article, visit: www.labmate-online.com Revolutionising remote sample management


With Ziath’s DP5 Network rack decoding software, scientists can break free from their lab benches. This high-speed, web-based solution can be seamlessly accessed from a laptop, desktop, phone, or any network-connected device. DP5 Network allows you to connect your tube rack readers and scanners directly to your LAN, granting you the freedom to control them from anywhere within your facility.


Whether your reader or scanner is located near freezers or compound stores, you can access results in real-time on your desktop or phone. DP5 Network ensures both speed and security, offering multiple export formats, including JSON, XLS, CSV, Text, PDF, PNG, and Python. You can easily share tube positions and barcodes via email with colleagues or send the data to your desktop PC.


It’s important to note that while DP5 Standard software can be installed on any camera-based reader, LAN adaptors with RJ45 connectors for running the new DP5 Network software are currently available exclusively for Ziath DataPaq™ Express and DataPaq™ Mirage 2D-barcode rack readers.


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Automated pipetting system - consistency, accuracy, reproducibility


PIPETMAX, built upon PIPETMAN® technology, helps to reduce costly technical replicates and helps maximise reproducibility by eliminating inconsistencies due to common pipetting errors. The automated system frees up time devoted to tedious pipetting jobs that improve lab productivity and lets you get to results faster.


The hardware and software of PIPETMAX are customisable to fit the specific needs of the assay, allowing you to configure and customise runs to any reagent, kit, or protocol. With intelligent tip management, our pipette heads allow up to 8 tips to be used simultaneously Several pre-developed, validated protocols are available for download while custom protocols can be written to accommodate any workflow. The small footprint lets it easily fit on a lab bench or under a fume hood. At a weight of just under 40 pounds, it’s easy to move to the location most suited for your assays.


PIPETMAN® DIAMOND Tips are designed to fit your PIPETMAX perfectly. Using PIPETMAN DIAMOND Tips with your PIPETMAX ensures maximum accuracy and precision and delivers consistent results. They have a perfect air-tight seal to prevent leaks. The tips are made of pure polypropylene to deliver the correct volume and ensure complete dispensing, and they feature volume gradations, making it easy to visually check the volume aspirated.


Gilson tips are manufactured in a clean room environment, ensuring they are free of detectable contaminants that can affect your results. Our tips are guaranteed, certified, and traceable to meet the most stringent demands in many applications.


More information online: ilmt.co/PL/16wN and ilmt.co/PL/zBV8 60696pr@reply-direct.com


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