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- Title
MMsDusty: an Alternative InChI-Based Tool to Minimize Chemical Redundancy.
- Authors
Fanton, Marco; Floris, Matteo; Cristiani, Andrea; Olla, Stefania; Medda, Ricardo; Sabbadin, Davide; Bulfone, Alessandro; Moro, Stefano
- Abstract
The article discusses research on MMsDusty as an International Chemical Identifier (InChI)-based tool to reduce chemical redundancy. It offers information on the construction and management process of a chemical database. It identifies the main operating core units of MMsDusty including InCHI-based orthography check, three-dimensional (3D) structure generation, and InCHI-based redundancy-elimination step.
- Subjects
CHEMICALS; THREE-dimensional imaging; MOLECULAR models; IMAGING systems; DATABASES
- Publication
Molecular Informatics, 2013, Vol 32, Issue 8, p681
- ISSN
1868-1743
- Publication type
Article
- DOI
10.1002/minf.201300061