Kelaroo Chem Axon Kelaroo provides applications

Kelaroo & Chem. Axon • Kelaroo provides applications and professional services to the biotechnology and pharmaceutical industry. • Our web-based. NET applications utilize Oracle databases and web service integration for scalable, low maintenance workflow solutions. • Although our applications are “vendor neutral” and compatible with all the major cheminformatics vendors, we active promote and encourage the utilization of Chem. Axon technology. Robert D. Feinstein, Ph. D Vice President & CSO, Kelaroo, Inc. www. kelaroo. com 4 August 2009 info@Kelaroo. com Copyright © 2009 – Kelaroo, Inc.

Presentation Outline 1. Kelaroo Overview 2. Chem. Axon technology Kelaroo applications 3. KRMS (Reagent Management System) 4. KCRS (Compound Registration System) 5. Custom Application Development 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

Kelaroo is a scientific solutions provider combining informatics products and services that help pharmaceutical and biotechnology companies to leverage their drug discovery data. • Company founded in 2000 • Over 40 clients, in Southern California and beyond, from biotechnology startups to Fortune 500 corporations. • Expertise in cheminformatics and bioinformatics applications and vendors, including: Chem. Axon, Microsoft, Oracle, MDL/Symyx, Accelrys, Sci. Tegic, Daylight, … 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

Kelaroo = Low Maintenance Solutions • Scalable & reliable technologies (Oracle, IIS, SOA, etc. ) • Highly configurable applications • Training, User Guides & Quick Reference Charts • Administrative capabilities: – User auditing & licensing – Message and error logging – Remote access & administration 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

Kelaroo = Vendor-Neutral Solutions KRMS Reagent Management System KALEA Library Enumeration Application KCRS Compound Registration System 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

Presentation Outline 1. Kelaroo Overview 2. Chem. Axon technology Kelaroo applications 3. KRMS (Reagent Management System) 4. KCRS (Compound Registration System) 5. Custom Application Development 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

Reagent Mining 2002: Our first use of Chem. Axon technology Project objectives: • Facilitate reagent data entry and mining. • Implement functionality like MDL’s Reagent Selector. • Provide foundation for chemists electronic notebooks and virtual product enumeration. Implementation: • Oracle + Daylight data cartridge (SMILES) • Marvin. Sketch & Chem. Draw (chemical editors) • Java / JSP web application using Web. Logic application server Note: We have since standardized on. NET 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

Chemical Editors (Marvin) Kelaroo 2004 - present • Why would anyone use anything other than Marvin? Regardless… • Kelaroo applications support all major chemical editors. • Users are presented with a list of editors. A user’s preferred editor is remembered. • Marvin capably handles: – – – Structure & substructure entry Functional group queries Reaction entry IUPAC & SMILES conversions More stuff we don’t use often 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

Presentation Outline 1. Kelaroo Overview 2. Chem. Axon technology Kelaroo applications 3. KRMS (Reagent Management System) 4. KCRS (Compound Registration System) 5. Custom Application Development 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

KRMS (Reagent Management) Functional capabilities: • In-house container inventory data management: – Searching: (sub)structure, CAS#, MFCD#, barcode, etc. – Container registration, bar-coding, scanning, history & tracking – Reagent list generation & list logic • • • Container request generation & processing Integrated view of purchasable reagents (catalog items) Order submission & purchasing system integration Automated order submission & tracking EH&S capabilities Implementation: • Web-based application + services • Integrated with content sources • Designed for use with a variety of cartridges and molecule editors: – Chem. Axon / Accelrys / MDL / Daylight / other cartridges – Marvin, ISIS/Draw, MDL/Draw, Chem. Draw, JME 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

KRMS Search Catalog Items 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

KRMS Search Catalog Items Catalog item specific punch-outs provide easy access to vendor pages 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

Presentation Outline 1. Kelaroo Overview 2. Chem. Axon technology Kelaroo applications 3. KRMS (Reagent Management System) 4. KCRS (Compound Registration System) 5. Custom Application Development 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

Kelaroo Compound Registration System • For the registration of peptide, protein and small molecule structures, lots and aliquots. • Provides traditional small molecule structure and lot registration functionality. • Integrates sequence registration functionality for proteins, peptides and peptidomimetic biologics: – Natural amino acids – D- amino acids – N-terminal capping groups – Non-natural amino acids – C-terminal capping groups – Linkages and cyclizations 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

Kelaroo Compound Registration System • Example: Ac – Ala – Asp – Ala - NH 2 C=O H-N Adamantane – Ala - D-Lys – Ala – OMe 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

Kelaroo Compound Registration System 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

Presentation Outline 1. Kelaroo Overview 2. Chem. Axon technology Kelaroo applications 3. KRMS (Reagent Management System) 4. KCRS (Compound Registration System) 5. Custom Application Development 4 August 2009 Copyright © 2009 – Kelaroo, Inc.

Custom Application Development If you can describe it, we can spec it out and deliver it quickly and inexpensively! 4 August 2009 Copyright © 2009 – Kelaroo, Inc.