Article

Molecular Property Diagnostic Suite Compound Library (MPDS-CL): A Structure based Classification of the Chemical Space

2023-08-10

Abstract excerpt

Molecular Property Diagnostic Suite-Compound Library (MPDS-CL), is an open-source galaxy-based cheminformatics web-portal which presents a structure-based classification of the molecules. A structure-based classification of nearly 150 million unique compounds, which are obtained from 42 publicly available databases were curated for redundancy removal through 97 hierarchically well-defined atom composition-based po...

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Literature Corpus work: 4d66cffa-6d93-5b02-b1c2-1a1be8b91f55
DOI: 10.21203/rs.3.rs-3236523/v1

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