Vijil Chenthamarakshan

1 month ago | arxiv.org | Kinjal Basu |Yara Rizk |Vijil Chenthamarakshan |Tejaswini Pedapati

Work on one of the world's most important websites and make an impact on open science.

Jun 23, 2023 | nature.com | Vijil Chenthamarakshan |Payel Das

AbstractElucidating the structure of a chemical compound is a fundamental task in chemistry with applications in multiple domains including drug discovery, precision medicine, and biomarker discovery. The common practice for elucidating the structure of a compound is to obtain a mass spectrum and subsequently retrieve its structure from spectral databases. However, these methods fail for novel molecules that are not present in the reference database.