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4 August 2009Copyright © 2009 – Kelaroo, Inc. Kelaroo & ChemAxon Robert D. Feinstein, PhD Vice President & CSO, Kelaroo, Inc.

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Presentation on theme: "4 August 2009Copyright © 2009 – Kelaroo, Inc. Kelaroo & ChemAxon Robert D. Feinstein, PhD Vice President & CSO, Kelaroo, Inc."— Presentation transcript:

1 4 August 2009Copyright © 2009 – Kelaroo, Inc. Kelaroo & ChemAxon Robert D. Feinstein, PhD Vice President & CSO, Kelaroo, Inc. 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 ChemAxon technology.

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

3 4 August 2009Copyright © 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: ChemAxon, Microsoft, Oracle, MDL/Symyx, Accelrys, SciTegic, Daylight, … Kelaroo

4 4 August 2009Copyright © 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

5 4 August 2009Copyright © 2009 – Kelaroo, Inc. Kelaroo = Vendor-Neutral Solutions KRMS Reagent Management System KALEA Library Enumeration Application KCRS Compound Registration System

6 4 August 2009Copyright © 2009 – Kelaroo, Inc. Presentation Outline 1.Kelaroo Overview 2.ChemAxon technology Kelaroo applications 3.KRMS (Reagent Management System) 4.KCRS (Compound Registration System) 5.Custom Application Development

7 4 August 2009Copyright © 2009 – Kelaroo, Inc. Reagent Mining 2002: Our first use of ChemAxon technology Project objectives: Facilitate reagent data entry and mining. Implement functionality like MDLs Reagent Selector. Provide foundation for chemists electronic notebooks and virtual product enumeration. Implementation: Oracle + Daylight data cartridge (SMILES) MarvinSketch & ChemDraw (chemical editors) Java / JSP web application using WebLogic application server Note: We have since standardized on.NET

8 4 August 2009Copyright © 2009 – Kelaroo, Inc. Chemical Editors (Marvin) Kelaroo 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 users preferred editor is remembered. Marvin capably handles: –Structure & substructure entry –Functional group queries –Reaction entry –IUPAC & SMILES conversions –More stuff we dont use often

9 4 August 2009Copyright © 2009 – Kelaroo, Inc. Presentation Outline 1.Kelaroo Overview 2.ChemAxon technology Kelaroo applications 3.KRMS (Reagent Management System) 4.KCRS (Compound Registration System) 5.Custom Application Development

10 4 August 2009Copyright © 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: –ChemAxon / Accelrys / MDL / Daylight / other cartridges –Marvin, ISIS/Draw, MDL/Draw, ChemDraw, JME

11 4 August 2009Copyright © 2009 – Kelaroo, Inc. KRMS Search Catalog Items

12 4 August 2009Copyright © 2009 – Kelaroo, Inc. KRMS Search Catalog Items Catalog item specific punch-outs provide easy access to vendor pages

13 4 August 2009Copyright © 2009 – Kelaroo, Inc. Presentation Outline 1.Kelaroo Overview 2.ChemAxon technology Kelaroo applications 3.KRMS (Reagent Management System) 4.KCRS (Compound Registration System) 5.Custom Application Development

14 4 August 2009Copyright © 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

15 4 August 2009Copyright © 2009 – Kelaroo, Inc. Example: Ac – Ala – Asp – Ala - NH2 C=O H-N Adamantane – Ala - D-Lys – Ala – OMe Kelaroo Compound Registration System

16 4 August 2009Copyright © 2009 – Kelaroo, Inc. Kelaroo Compound Registration System

17 4 August 2009Copyright © 2009 – Kelaroo, Inc. Presentation Outline 1.Kelaroo Overview 2.ChemAxon technology Kelaroo applications 3.KRMS (Reagent Management System) 4.KCRS (Compound Registration System) 5.Custom Application Development

18 4 August 2009Copyright © 2009 – Kelaroo, Inc. Custom Application Development If you can describe it, we can spec it out and deliver it quickly and inexpensively!


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