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WorksheetsChem-Computational Toxicity Tools Quiz
Total questions: 25
Worksheet time: 13mins
What does the BOILED-Egg model predict?
Solubility
Toxicity
GI absorption and BBB permeation
Metabolism
Which input format is most commonly used in toxicity prediction tools?
CAS Number
IUPAC Name
SMILES
InChI
Which tool gives toxicity classification based on LD50 values?
SwissADME
PROTOX II
Pred-hERG
CarcinoPred-EL
Which of the following tools predicts carcinogenicity using ensemble models?
SwissADME
CarcinoPred-EL
LAZAR
PreADMET
SwissADME predicts the following EXCEPT:
Water solubility
GI absorption
Mutagenicity
Lipophilicity
PROTOX II predicts which of the following?
Protein-ligand docking
hERG inhibition
LD50 and toxicity class
Carcinogenicity only
Which of the following is not needed in SwissADME analysis?
SMILES
InChI
PubChem ID
Drug Name
What is the full form of QSAR?
Quantitative Structural Analysis Regression
Quantitative Structure-Activity Relationship
Quantum Structure Atomic Ratio
Quality Statistical Active Regression
Which is the correct SwissADME output for bioavailability?
Toxicity class
Bioavailability Radar
Protein binding
QT interval
What is LD50?
Dose lethal to 50% of the population
Half the safe dosage
Lowest effective dose
Absorption rate
What is the predicted unit for LD50 in PROTOX II?
mg/L
mg/kg
µg/kg
ppm
Which organ-specific toxicity is predicted by PROTOX II?
Skin
Eyes
Liver
Lungs
BOILED-Egg model represents absorption and permeability using:
3D structure
Radar plots
2D scatter diagram
Text output
CarcinoPred-EL provides prediction from which model?
XGBoost
Random Forest
SVM
All of the above
Which is NOT an input for CarcinoPred-EL?
Molecular weight
SMILES
Drug name
Chemical descriptor
Which of the following is TRUE about SwissADME?
Predicts hepatotoxicity
Requires InChI only
Predicts lipophilicity
Needs logP file
What color in BOILED-Egg indicates BBB permeation?
Red
Blue
Yellow
Green
The PROTOX II web tool is hosted by:
EMBL
Charité Berlin
NCBI
Swiss Institute of Bioinformatics
Which descriptor is used for prediction in SwissADME?
Lipinski rules
QSAR weight
Toxicity index
Risk class
In SwissADME, GI absorption is shown as:
High or Low
Numerical range
Color codes
Graph
CarcinoPred-EL classifies compounds as:
Safe or unsafe
Carcinogen or non-carcinogen
Risk group I-IV
Bioactive or inactive
Which compound is typically used for GI tract prediction testing?
Ibuprofen
Ethanol
Sulfur dioxide
Sodium chloride
PubChem provides all the following EXCEPT:
SMILES
CID
LD50 value
Molecular formula
What can you infer from a low LD50 value?
Less effective
More toxic
Poor solubility
Higher absorption
Which of the following is free to access for toxicity analysis?
SwissADME
ChemOffice
PyMOL
MATLAB
