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== [[Before You Begin]] == | __NOTOC__ | ||
==[[Before You Begin]]== | |||
== How To & FAQ == | == How To & FAQ == | ||
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* [[Starting|Starting a new project & Importing data]] | * [[Starting|Starting a new project & Importing data]] | ||
* [[Training]] | * [[Training]] | ||
* [[Searching|Searching & Filtering]] | * [[Labeling, Searching and Filtering|Labeling, Searching & Filtering]] | ||
* [[Ranking|Ranking & Sorting]] | * [[Ranking|Ranking & Sorting]] | ||
* [[Plotting]] | * [[Plotting]] | ||
* [[Reporting]] | |||
* [[Special compound classes]] | |||
<br /> | <br /> | ||
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=== [[Using ACD/Percepta]] === | === [[Using ACD/Percepta]] === | ||
<br> | ===[[Context Help]]=== | ||
<br/> | |||
=== Data Sources === | |||
* [[History]] | |||
* [[Projects]] | |||
* [[Substituents]] | |||
* [[Trainable Libraries]] | |||
* [[Classic Training]] | |||
* [[Databases]] | |||
<br /> | |||
=== [[Spreadsheet View]] === | === [[Spreadsheet View]] === | ||
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* [[Utilities Menu]] | * [[Utilities Menu]] | ||
* [[Plotting Menu]] | * [[Plotting Menu]] | ||
* [[Reports Menu]] | |||
<br /> | <br /> | ||
=== Prediction Modules === | === Prediction Modules === | ||
* [[Module | * [[Prediction Module View|Module View]] | ||
* [[Trainable Models]] | * [[Trainable Models]] | ||
<br /> | <br /> | ||
* Absolv | * Absolv | ||
** [[Absolv]] | ** [[Absolv]] | ||
** [[Absolv Equations]] | ** [[Absolv Equations|Equations]] | ||
* Acute Toxicity | * Acute Toxicity | ||
** [[Acute Toxicity Categories| | ** [[Acute Toxicity Categories]] | ||
** [[Acute Toxicity Hazards|Hazards]] | |||
** [[Acute Toxicity LD50|LD50]] | ** [[Acute Toxicity LD50|LD50]] | ||
* Aquatic Toxicity | * Aquatic Toxicity | ||
** [[Aquatic Toxicity LC50| | ** [[Aquatic Toxicity LC50|Aquatic Toxicity]] | ||
* Blood-Brain Barrier Permeability | * Blood-Brain Barrier Permeability | ||
** [[BBB Permeability|BBB]] | ** [[BBB Permeability|BBB]] | ||
** [[LogBB]] | ** [[LogBB]] | ||
** [[LogPS]] | ** [[LogPS]] | ||
* [[Boiling Point/Vapor Pressure]] | |||
* Distribution | * Distribution | ||
** [[Protein Binding]] | ** [[Protein Binding]] | ||
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** [[Endocrine System Disruption|Estrogen Receptor]] | ** [[Endocrine System Disruption|Estrogen Receptor]] | ||
* Genotoxicity | * Genotoxicity | ||
** [[Ames Test | ** [[Ames Test|Mutagenicity (Ames Test)]] | ||
* [[Health Effects]] | * [[Health Effects]] | ||
* [[hERG Inhibition]] | * [[hERG Inhibition]] | ||
** [[hERG_Inhibition#hERG_Inhibitors|hERG Inhibitors]] | |||
** [[hERG_Inhibition#hERG_IC50|hERG IC50]] | |||
* [[Impurity Profiling]] | |||
* Irritation | * Irritation | ||
** [[Eye Irritation]] | ** [[Eye Irritation]] | ||
| Line 60: | Line 78: | ||
* [[LogD]] | * [[LogD]] | ||
* [[LogP]] | * [[LogP]] | ||
** [[LogP#ACD/LogP Classic|ACD/LogP Classic]] | |||
** [[LogP#ACD/LogP GALAS|ACD/LogP GALAS]] | |||
** [[LogP#Consensus LogP|Consensus LogP]] | |||
* [[MRDD]] | * [[MRDD]] | ||
* Oral Bioavailability | |||
** [[Active Transport]] | |||
** [[Oral Bioavailability|Bioavailability]] | |||
* P-gp Specificity | |||
** [[P-gp Inhibitors]] | |||
** [[P-gp Substrates]] | |||
* [[P450 Inhibitors]] | |||
* [[P450 Substrates]] | |||
* Passive Absorption | * Passive Absorption | ||
** [[Absorption]] | ** [[Absorption]] | ||
** [[Absorption Caco2| | ** [[Absorption Caco2|Caco-2]] | ||
* [[Physicochemical Properties|PhysChem]] | * [[Physicochemical Properties|PhysChem]] | ||
* [[PK Explorer]] | |||
* [[pKa]] | * [[pKa]] | ||
** [[pKa#ACD/pKa Classic|ACD/pKa Classic]] | ** [[pKa#ACD/pKa Classic|ACD/pKa Classic]] | ||
** [[pKa#ACD/pKa GALAS|ACD/pKa GALAS]] | ** [[pKa#ACD/pKa GALAS|ACD/pKa GALAS]] | ||
* Regioselectivity of Metabolism | * Regioselectivity of Metabolism | ||
** [[CYP1A2 Regioselectivity]] | ** [[CYP1A2 Regioselectivity]] | ||
** [[CYP2C19 Regioselectivity]] | ** [[CYP2C19 Regioselectivity]] | ||
| Line 83: | Line 104: | ||
** [[CYP2D6 Regioselectivity]] | ** [[CYP2D6 Regioselectivity]] | ||
** [[CYP3A4 Regioselectivity]] | ** [[CYP3A4 Regioselectivity]] | ||
** [[HLM Regioselectivity]] | |||
* [[Sigma]] | * [[Sigma]] | ||
* [[Solubility in DMSO]] | * [[Solubility in DMSO]] | ||
* Water Solubility | * Water Solubility | ||
** [[ACD/LogS0 GALAS|ACD/LogS<sub>0</sub> GALAS]] | |||
** [[ACD/Qualitative Solubility GALAS]] | |||
** [[LogS]] | ** [[LogS]] | ||
<br /> | |||
* Tutorials | |||
** [[ACD/pKa GALAS Tutorial]] | |||
** [[PK Explorer Tutorial]] | |||
<br /> | <br /> | ||
=== [[PhysChem Profiler]] === | |||
=== [[ADMET Profiler]] === | |||
=== Structure Designer === | === Structure Designer === | ||
* [[Structure Designer|Overview & Interface]] | * [[Structure Designer|Overview & Interface]] | ||
* [[Structure Designer Tutorial|Tutorial]] | * [[Structure Designer Tutorial|Tutorial]] | ||
<br /> | |||
=== [[Copyrights]] === | |||
== [[Copyrights]] == | |||
Latest revision as of 08:22, 14 August 2024
Before You Begin
How To & FAQ
- General
- Starting a new project & Importing data
- Training
- Labeling, Searching & Filtering
- Ranking & Sorting
- Plotting
- Reporting
- Special compound classes
User Manual
Using ACD/Percepta
Context Help
Data Sources
Spreadsheet View
- File Menu
- Edit Menu
- Column Menu
- Lists Menu
- Calculate Menu
- Fragmentate Menu
- Utilities Menu
- Plotting Menu
- Reports Menu
Prediction Modules
- Absolv
- Acute Toxicity
- Aquatic Toxicity
- Blood-Brain Barrier Permeability
- Boiling Point/Vapor Pressure
- Distribution
- Endocrine System Disruption
- Genotoxicity
- Health Effects
- hERG Inhibition
- Impurity Profiling
- Irritation
- LogD
- LogP
- MRDD
- Oral Bioavailability
- P-gp Specificity
- P450 Inhibitors
- P450 Substrates
- Passive Absorption
- PhysChem
- PK Explorer
- pKa
- Regioselectivity of Metabolism
- Sigma
- Solubility in DMSO
- Water Solubility
- Tutorials
PhysChem Profiler
ADMET Profiler
Structure Designer