this is for holding javascript data
Somayeh deleted PaDEL_Descriptor_is_a_software__.tex
over 8 years ago
Commit id: ba3b465992999ea564f938e6c78bd98b059f5901
deletions | additions
diff --git a/PaDEL_Descriptor_is_a_software__.tex b/PaDEL_Descriptor_is_a_software__.tex
deleted file mode 100644
index fc7acb9..0000000
--- a/PaDEL_Descriptor_is_a_software__.tex
+++ /dev/null
...
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}.
diff --git a/layout.md b/layout.md
index 902c6e8..5eef2f6 100644
--- a/layout.md
+++ b/layout.md
...
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