ChemBench

A Labjournal Application for the Combinatorial Chemist

Christian Rufener

F. Hoffmann-La Roche AG

Basel, Switzerland

ChemBench, A Labjournal Application for the Combinatorial Chemist

1. Introduction

What is ChemBench

Roche Scientists’ IT Environment

ChemBench Requirements

User Benefits

ChemBench Features

Application Overview

Tree View Navigator

Experiment Layout

Experiment Details

Product List View

Product Details

Component Details

Create New Experiment

Drag&Drop Components

Structure Enumeration

Component & Rxn Reuse

Reporting

Sample Report

Standard Tool Integration

Import/Export

2. Technical Details

Overview

Reaction Server

Registration Server

Database Access

CORBA

CORBA Services for ChemBench

Transformator Instantiation

Reaction Toolkit

Enumeration Process

3. Discussion

Problems

Reaction Server Issues

Future

Daylight Wish List

Acknowlegdements