this is for holding javascript data
Somayeh added PaDEL_Descriptor_is_a_software__.tex
over 8 years ago
Commit id: 646a0d76b698babf5cd0d70ad37842d76ad219bb
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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}.
