Molecular Descriptors For Cheminformatics Pdf File
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Roberto Todeschini and Viviana Consonni Molecular Descriptors for Chemoinformatics Volume I: Alphabetical Listing Second, Revised and Enlarged Edition. Browse and Read Molecular Descriptors For Chemoinformatics Volume I Alphabetical. PDF File: Molecular Descriptors For Chemoinformatics Volume I Alphabetical.
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Kode srl will be entitled to send promotional e-mails. The user will be able to stop these communications at any time. The owner of the collected data is Kode srl, via Nino Pisano, 14 - 56122 Pisa, Italy. Dragon is the world-wide most used application for the calculation of molecular descriptors.
Its new version, Dragon 7.0, provides an improved user interface, new descriptors and additional features such as the calculation of fingerprints and the support for disconnected structures. • Molecular descriptors: Dragon calculates 5,270 molecular descriptors, covering most of the various theoretical approaches. The list of descriptors includes the simplest atom types, functional groups and fragment counts, topological and geometrical descriptors, three-dimensional descriptors, but also several properties estimation (such as logP) and drug-like and lead-like alerts (such as the Lipinski's alert). The wide range of different approaches and theories for descriptors calculation, and the correctness and precision of their implementation are ensured by the scientific supervision of the of prof. Roberto Todeschini, author with dr. Viviana Consonni of (the most complete reference for descriptors theory).