A research team has developed an artificial intelligence (AI) system that proposes suitable molecular structures from the raw data of spectroscopic measurements and assesses their plausibility. The ...

A method to interpret artificial intelligence (AI) models used in materials discovery by analyzing their learned features has been developed by researchers from Japan. The method extracts key features ...

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MaldiSuite combines preprocessing, batch effect correction, and deep learning classifiers in a single sklearn-compatible workflow for clinical microbiology and computational biology research. This ...

Citation: Cokelaer et al, (2017), 'Spectrum': Spectral Analysis in Python, Journal of Open Source Software, 2(18), 348, doi:10.21105/joss.00348 The targeted audience ...

Abstract: With the advancements in technology and monitoring tools, we often encounter multivariate graph signals, which can be seen as the realizations of multivariate graph processes, and revealing ...

LC-HRMS/MS enables comprehensive detection of food toxicants, combining targeted, suspect, and untargeted analyses for maximum data yield and efficiency. The WFSR Food Safety Mass Spectral Library ...

Spectral library searching is a key method for compound annotation in mass spectrometry; however, existing libraries often suffer from high data heterogeneity, varying spectral quality, or limited ...

Sally Spectra on Young and Restless had quite a history before she even got to Genoa City! The character first appeared on Bold and Beautiful in January 2017 and already had quite a legacy. Actress ...