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S134 | GCIPMTTPS | Prioritized Dead-end TPs from the ZeroPM Global Chemical Inventory

Research datakeyboard_double_arrow_right Dataset Under curation English Publisher:ZenodoFunded by:EC | ZeroPM
Authors: Palm, Emma Helena; Schymanski, Emma;

doi: 10.5281/zenodo.19847366

S134 | GCIPMTTPS | Prioritized Dead-end TPs from the ZeroPM Global Chemical Inventory

Abstract

A list of predicted "dead-end" transformation products (TPs) from the ZeroPM Global Chemical Inventory (GCI), prioritized to be potentially persistent (as they are "dead-end"), mobile (logKoc) and/or toxic (ED), both predicted with OPERA. See https://gcitps.lcsb.uni.lu/. TPs from the ZeroPM GCI (https://database.zeropm.eu/) were predicted over 3 reaction steps (env, abiotic) with BioTransformer 4.0 (beta veresion). The full database is available at https://gcitps.lcsb.uni.lu/. v0.1.1: added precursor mapping file. v0.1.2 added CIDs, names.

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