Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

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Цитируется: 7

05:34 мин.

6 июня 2025 г.

10.3791/68194-v

6 июня 2025 г.

735 просмотров

Gregory Janesch¹ , Erik Tyler Carr¹ , Sakuntala Sivasupramaniam² , Nathaniel Charest³ , Valery Tkachenko⁴ , Antony J. Williams³

¹Oak Ridge Affiliated Universities (ORAU) Student Services Contractor, ²Senior Environmental Employment Program, U.S. Environmental Protection Agency, ³Center for Computational Toxicology and Exposure, Office of Research and Development, U.S. Environmental Protection Agency, ⁴ScienceDataExperts Inc.

This article describes AMOS, the web-based Analytical Methods and Open Spectra database, a cheminformatics application designed to provide researchers with easy access to analytical methods and spectral data.

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Cheminformatics Database

Chemical Structure Search

Method Identifier Mapping

Public Domain Spectra

Chapters in this video

0:00

Introduction

1:23

Searching Records for Specific Substances

3:24

Searching Through Records

4:55

Results