Somayeh deleted PaDEL_Descriptor_is_a_software__.tex  over 8 years ago

Commit id: ba3b465992999ea564f938e6c78bd98b059f5901

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PaDEL-Descriptor is a software that calculates molecular descriptors and fingerprints. It computes 1875 descriptors (1444 1D, 2D descriptors and 431 3D descriptors) and 12 types of fingerprints (total 16092 bits). The Chemistry Development Kit is used to calculate the descriptors and fingerprints with additional descriptors and fingerprints like atom type electrotopological state descriptors, Crippen's logP and MR, extended topochemical atom (ETA) descriptors, McGowan volume, molecular linear free energy relation descriptors, ring counts, count of chemical substructures identified by Laggner, and binary fingerprints and count of chemical substructures \cite{Yap_2010}.         

OrChem_is_an_Oracle_chemistry__.tex  OSRA_allows_user_to_convert__.tex  Mychem_is_a_chemoinformatics_extension__.tex  PaDEL_Descriptor_is_a_software__.tex  section_QSAR__.tex  Quantitative_Structure_Activity_Relationship_Q__.tex  BlueDesc_descriptor_calculator_is_a__.tex