Contents

How To & FAQ

• General
• Starting a new project & Importing data
• Training
• Searching & Filtering
• Ranking & Sorting
• Plotting

User Manual

Spreadsheet View

• File Menu
• Edit Menu
• Column Menu
• Lists Menu
• Calculate Menu
• Fragmentate Menu
• Utilities Menu
• Plotting Menu

Prediction Modules

• Module View
• Trainable Models

• Absolv
  • Absolv
  • Absolv Equations
• Acute Toxicity
  • Categories
  • LD50
  • Hazards
• Aquatic Toxicity
  • LC50
• Blood-Brain Barrier Permeability
  • BBB
  • LogBB
  • LogPS
• Distribution
  • Protein Binding
  • Vd
• Endocrine System Disruption
  • Estrogen Receptor
• Genotoxicity
  • Ames Test
  • Impurity Profiling
• Health Effects
• Irritation
  • Eye Irritation
  • Skin Irritation
• LogP
• Passive Absorption
  • Absorption
  • Caco2
• PhysChem
• P-gp Specificity
  • P-gp Inhibitors
  • P-gp Substrates
• P450 Inhibitors
• P450 Substrates
• Regioselectivity of Metabolism
  • HLM Regioselectivity
  • CYP1A2 Regioselectivity
  • CYP2C19 Regioselectivity
  • CYP2C9 Regioselectivity
  • CYP2D6 Regioselectivity
  • CYP3A4 Regioselectivity
• Solubility in DMSO
• PK Explorer
• MRDD
• hERG Inhibition
• Sigma
• LogD
• Water Solubility
  • LogS
  • LogSw
  • Qualitative Solubility
• pKa

Structure Designer

• Overview & Interface
• Tutorial