User:Kamsen88/Books/Cheminformatics Intro

Cheminformatics Intro

 * Introduction
 * Pharmacokinetics
 * IC50
 * EC50
 * Lead compound
 * Partition coefficient
 * ADME
 * Absorption (pharmacology)
 * Distribution (pharmacology)


 * Data Formats
 * Simplified molecular-input line-entry system
 * International Chemical Identifier
 * Chemical table file
 * SMILES arbitrary target specification
 * Structure–activity relationship
 * Quantitative structure–activity relationship