Mass Spectrometry & Spectroscopy

  • New Software Features to Support Chemical and Pharmaceutical R&D Released

New Software Features to Support Chemical and Pharmaceutical R&D Released

Sep 28 2020 Read 629 Times

ACD/Labs has announced its annual updates across its Spectrus and Percepta platform applications.

"With many scientists working both remotely and in shifts, there has been an increased interest in remote data accessibility and automation, especially this year," said Mark Meyers, VP of Sales at ACD/Labs. "I'm delighted that we have been able to support our client organisations with flexible license expansion(s) enabling scientists to access data generated on lab instruments, from home.”

The Spectrus Platform features enhancements to databasing capabilities including improved spectral search, better data accessibility, facile data sharing, and collaboration for scientists in geographically scattered teams/groups.

NMR and MS functionality for data processing and analysis has seen a variety of enhancements to aid structure characterisation and verification, including the introduction of new capabilities for quantitative analysis of chromatographic data in MS software applications.

The chromatography portfolio sees the introduction of 3D optimisation. ACD/Labs' chemically intelligent approach minimises the number of experiments needed for multifactorial optimisation using chromatographic simulation. Optimisation results can be conveniently viewed as 2D slices or 3D maps to facilitate decision-making.

Improved CMC decision support and supply chain management is delivered by updates to Luminata. V2020.1 development focused on the feedback of users that have adopted the product since its introduction in 2017 to improve data management and visualisation in support of effective and efficient decision-making.

The industry standard calculator for pKa on the Percepta Platform was also a focus in this most recent development cycle. Working with curated experimental data from a large pharma collaborator has enabled expansion of the internal data set. This expands the chemical space coverage of the model and will improve prediction accuracy for related structures.

"As the R&D industry continues to evolve, it's clear how valuable data, and software capable of supporting it, is throughout the entire product development lifecycle," said Karim Kassam, Senior Director of Customer Success at ACD/Labs. "We're always looking to improve the way data can be managed and visualised so scientists and project teams can effectively problem-solve and make decisions quickly. Our v2020.1 software updates bring enhanced capabilities so scientists can continue to innovate knowing they have the latest capabilities in their toolkit."

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