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3	Why? Getting from ‘A to B’: Chemistry to Biology Ensure valuable compounds enter into the corporate collection & are screened! Safe storage & retrieval of compounds Compound tracking from source Dissolution of compounds Control of compound requests: Þ Speed Þ Efficiency
4	Compound storage & management - simple?! Collect Store Dissolve Screen
5	‘Interim’ Considerations Millennium UK: Until Q2 2003 – Temporary building Store powders Store DMSO stock solutions Quality Numbers? Integrated software solutions
6	Long term considerations Scales of operation: UK up to 25K by Q4 2002 US 100’s K, increasing to 1M? Expandable Traceable Quantity & concentration of material Conditions: Þ Dry, inert atmosphere Þ Temperature: -80, -20, +4, RT? Þ Freeze / thaw cycles
7	And another thing……………. Sample stability: Related to chemistry, concentration & conditions Dissolution: Once solutions are made up, do compounds stay in solution? Monitoring of stock solution integrity: QC using LC-MS Cross company compatibility Looking to the future Economics – financial & spatial!!!
8	Where to start……??? From the ground upwards!! On-going studies to determine optimum storage temperature Dry & inert atmosphere Media for storage? Traceable vessels?
9	Media 1 dram barcoded glass vials – bulk sample 2D Matrix tubes for small dry samples & DMSO stock solutions (ApogentDiscoveries) Polypropylene 2D tubes Unique laser etched 2D code – tracking & manipulation (incl. cherry picking) DMSO, abrasion & sonication resistant
10	2D codes Cameras (VisionMate 96 plus) or single shot readers (VisionMate1) are used to read and record the 2D codes
11	2D code manipulation An easily manipulated text file is generated: Date & time of Trace = 11 Jul 2002 09:21:31 AM Rack Base Name: A081197 A01; 0008078706 A02; 0008078705 A03; 0008078704 A04; 0008078703 A05; 0008078702 A06; 0008078701……….etc through to H12
12	Commercial storage/retrieval options? Numerous vendors can provide suitable solutions that are capable of: Þ Expansion Þ Efficiency Þ Format flexibility Þ Scheduling Correspondingly they can also be: Þ Very big Þ Very impressive Þ Very expensive!!
13	Commercial storage/retrieval options? Requirements Þ Automated storage & retrieval Þ Speedy manipulation of compounds Þ High sample density Þ Efficient tracking of compounds Þ Storage of solutions & powders Þ Easily interfaced with existing operating systems & databases Millennium have looked at: Þ The Automation Partnership (TAP) Þ RTS Þ REMP Þ Titian software (www.titian.co.uk) Þ The Technology Partnership (TTP)
14	The Automation Partnership (TAP) www.automationpartnership.com Sample management solutions include: Haystack & Homebase
15	RTS www.rts-group.com Sample management solutions include: Compact, Sample & Flexi stores^TM
16	REMP www.REMP.com Like TAP & RTS - high sample density, robotic systems BUT use proprietary tubes, e.g. Microtubes (300 ul volume):
17	The Technology Partnership (TTP): ‘comPOUND’
18	System integration Working towards fully automated & integrated solution for Q2 2003 Partial solution & integration currently implemented linking: Þ ‘Atlas’ – UK database Þ ‘Assay Request System’ Þ ‘Tecan Replater’ Þ ‘My Drug Discovery’ & ‘ActivityBase’ – feedback of data
19	Linking database & assay request manager
20	Linking assay request manager & Tecan
21	Workflow
22	Compound Management to Screen
23	On-going work Identification of optimal storage conditions, Þ temperature – RT? Þ dry, inert atmosphere Fully automated Compound Management facility Þ Full integration of systems Use of pre-scored caps Þ Elimination of capping/ decapping
24	Acknowledgments Multi-disciplinary team: Analytical Sciences, Discovery Chemistry, Discovery Pharmacology & Structure-Based Discovery………… Compound Management Team Krystyna Holden Mike Davis Malcolm Willson Steve Jordan Mark Jackson Contributors Bob Boyle Rich Boyce Dan Cinicola Alison Reid
25	Useful websites & User Groups LRIG: www.lab-robotics.org ISLAR: www.islar.com SBS: www.sbsonline.com