SinS - Abstract

Abstract Information :

Scientists rely on the results of LC/UV/MS, NMR, NIR, and other analytical techniques to verify and elucidate chemical structures and characterize materials. Usually, applying more than one technique to do so. The key to efficiency in molecular characterization is to use tools that support your efforts and to build upon existing knowledge. Unless you, or someone in your team has worked in a particular chemical space before, formal, managed analytical knowledge is usually inaccessible, and you must understand and use numerous pieces of software to analyse all different types of analytical data. The diversity in analytical techniques, proprietary vendor formats and software mean that analytical knowledge is scattered in scientists’ heads, stored in raw format for regulatory purposes, or reduced to static reports, tables of data, and basically “dead” images of spectra and chromatograms. Here we will present a software platform, designed for analytical data, that enables you to extract answers from all your analytical data in one place, and manage it for effective re-use: 1. Import, process, and report all major instrument vendor data—NMR, LC/MS and more—with one application. 2. Attach chemical structures to spectra and chromatograms and get help with structure/spectrum verification. 3. Store live, interpreted, searchable analytical knowledge with meta data and chemical context. 4. Automate routine analytical workflows for greater efficiency so that scientists can focus on their expertise. 5. Enable laboratory scientists and data scientists to leverage analytical and chemical knowledge.