Descriptors storage overview (under construction!)
An overview of the cached and externally uploaded descriptor values
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Descriptors stored in the public cache
| Descriptor type | Entries | Storage size | Operations |
|---|---|---|---|
|
EPA
<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
<epa-configuration>
<epa3D>true</epa3D>
</epa-configuration>
|
378 | 1402958 bytes | |
|
Fragmentor
<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
<fragmentor-configuration>
<fragmentType>3</fragmentType>
<minFragmentLength>2</minFragmentLength>
<maxFragmentLength>4</maxFragmentLength>
</fragmentor-configuration>
|
188 | 26781 bytes | |
|
GSFrag
<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
<gsfrag-configuration>
<gsfrag>true</gsfrag>
<gsfragl>true</gsfragl>
</gsfrag-configuration>
|
188 | 123397 bytes | |
|
InductiveDescriptors
<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
<inductivedescriptors-configuration>
<calcMElectronegativity>true</calcMElectronegativity>
<calcMHardness>true</calcMHardness>
<calcMSoftness>true</calcMSoftness>
<calcMPartialCharges>true</calcMPartialCharges>
<calcMInductiveParam>true</calcMInductiveParam>
<calcMStericParam>true</calcMStericParam>
<calcAElectronegativity>false</calcAElectronegativity>
<calcAHardness>false</calcAHardness>
<calcASoftness>false</calcASoftness>
<calcAPartialCharges>false</calcAPartialCharges>
<calcAInductiveParam>false</calcAInductiveParam>
<calcAStericParam>false</calcAStericParam>
</inductivedescriptors-configuration>
|
189 | 97884 bytes | |
|
MolPrint
<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
<molprint-configuration>
<depth>2</depth>
</molprint-configuration>
|
188 | 22835 bytes | |
|
QNPR
<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
<qnpr-configuration>
<minFragmentLength>1</minFragmentLength>
<maxFragmentLength>3</maxFragmentLength>
</qnpr-configuration>
|
188 | 30930 bytes | |
|
RDKIT
<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
<rdkitdescriptors-configuration>
<dragonBlocks>51199</dragonBlocks>
<WHIM_THRESHOLD>0.1</WHIM_THRESHOLD>
<TOPOLOGICAL_NBITS>1024</TOPOLOGICAL_NBITS>
<MORGAN_NBITS>1024</MORGAN_NBITS>
<MORGAN_RADIUS>2</MORGAN_RADIUS>
<MORGAN_FCFP>false</MORGAN_FCFP>
<MORGAN_COUNTS>false</MORGAN_COUNTS>
<AVALON_NBITS>1024</AVALON_NBITS>
</rdkitdescriptors-configuration>
|
189 | 1206796 bytes | |
|
SIRMS
<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
<sirms-configuration>
<noH>true</noH>
<minFragment>1</minFragment>
<maxFragment>4</maxFragment>
<descriptorTypes>CHARGE</descriptorTypes>
<descriptorTypes>HB</descriptorTypes>
</sirms-configuration>
|
188 | 15282 bytes | |
|
Spectrophores
<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
<spectrophores-configuration>
<accuracy>20</accuracy>
<cageType>0</cageType>
<resolution>0.1</resolution>
</spectrophores-configuration>
|
189 | 81238 bytes | |
|
StructuralAlerts
<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
<structuralalerts-configuration>
<compactMode>false</compactMode>
</structuralalerts-configuration>
|
188 | 9024 bytes |