|
action specification
|
IAO_0000007 |
|
|
measurement unit label
|
IAO_0000003 |
|
|
RDKit software library
|
CHEMINF_000800 |
|
|
software library
|
CHEMINF_000342 |
|
|
RDKit software library version 2015_09_2
|
CHEMINF_000801 |
|
|
number of rule of five violations calculated by RDKit software library version 2015_09_2
|
CHEMINF_000802 |
|
|
rule of five violations descriptor
|
CHEMINF_000312 |
|
|
hydrogen bond acceptor count calculated by RDKit software library version 2015_09_2
|
CHEMINF_000803 |
|
|
hydrogen bond donor count calculated by RDKit software library version 2015_09_2
|
CHEMINF_000804 |
|
|
logP descriptor calculated by RDKit software library version 2015_09_2
|
CHEMINF_000805 |
|
|
molecular formula calculated by RDKit software library version 2015_09_2
|
CHEMINF_000806 |
|
|
average molecular weight calculated by RDKit software library version 2015_09_2
|
CHEMINF_000807 |
|
|
total polar surface area calculated by RDKit software library version 2015_09_2
|
CHEMINF_000808 |
|
|
polar surface area descriptor
|
CHEMINF_000307 |
|
|
analysis subset ontology module
|
IAO_8000008 |
|
|
subset ontology module
|
IAO_8000006 |
|
|
single layer subset ontology module
|
IAO_8000009 |
|
|
ontology module
|
IAO_8000000 |
|
|
curation subset ontology module
|
IAO_8000007 |
|
|
bridge ontology module
|
IAO_8000004 |
|
