SPARK - A Tool for Discovering Structure-Property-Activity Relationship Knowledge

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Table of Contents

SPARK - A Tool for Discovering Structure-Property-Activity Relationship Knowledge

The Problems with Computational Tools

Goals of the Project

The First Solution: Web Page

The First Solution: Web Page

The Current/In Progress Solution

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SPARK as a Part of Lead Optimization

Uses of SPARK & its Offshoots

Status of Property Calculations

SPARK Capabilities: Retrieval from Oracle

Structure Transformation

Our Experiences with the Implementation

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Author: Abbott Labs