Chemical Information for Small Businesses & Startups Title: Building a business with and without scientific computing: The five W's and one H Speaker: Steven Muskal, Chief Executive Officer, Eidogen-Sertanty, Inc Abstract: Startups and small businesses today have a clear and distinct advantage over their predecessors. Coupling very experienced resource pools of contracted and/or outsource staff with utility (i.e. cloud-based) and mobile computing can equip such businesses with an unprecedented level of capability. Open source and multiple options for lower cost technologies and content also represent exciting new opportunities or a quagmire depending on your background and experience. Having lived through both the sell- and buy-sides of scientific research computing over last 25 years, we will discuss the why's, when's, who's, what's, where's and how's for building a scientific research computing effort.

1. Building a business with and
without scientific computing:
The five W's and one H
Steven Muskal, Ph.D
Chief Executive Officer
Eidogen-Sertanty, Inc
(why, when, who, what, where and how)
Chemical Information for Small Businesses & Startups

2. Dr. Steven Muskal
25 years (bio)pharmaceutical industry
’84-‘88 - Engineering Chemistry/Computer Science (Colorado
School of Mines)
’88-’91 - Ph.D. Biophysical Chemistry (UC Berkeley)
’91-‘95 Molecular Design Ltd. (MDL) (Project manager, BizDev)
’95-’00 Affymax-Glaxo (Unit Director - lead optimization (ADME),
and research computing)
’00-present Eidogen-Sertanty (CEO)

3. Learning from Hobbies
(Communicate, Collaborate and Digging-out of Failure)

5. 1) Why: business with(out) scientific
computing
Dr. Alejandro Zaffaroni (1923-2014)
ALZA, DNAX, Affymax/Affymetrix, Symyx, Maxygen, Alexza, etc.

6. 2) When (can you afford it?)

7. 3) Who: Your Network

8. Drug Industry Layoffs: 300,000 in the last decade!

9. ay 2015): Elance-oDesk Becomes 'Upwork' In Push To Build $10B In Freelance
3) Who (cont.): The World…

10. Software and resources for computational medicinal chemistry
Liao C, Sitzmann M, Pugliese A, Nicklaus MC.
Future Med Chem. 2011 Jun;3(8):1057-85
4) What: Access, Buy…then Build

11. Annotating and mining the ligand-target chemogenomics knowledge space
Ansgar Schuffenhauer and Edgar Jacoby
Drug Discovery Today: BIOSILICO Volume 2, Issue 5, September 2004, Pages 190–200

12. 5) Where: The cloud…

13. The Cloud: Amazon AWS (Amazon Web Services)

14. The Cloud: Amazon S3 (Amazon Simple Storage Service)

15. Amazon AWS Free Tier

17. Amazon: Cloud Simplification
EC2
RDS

18. Past colleague contacted me (i.e. stay connected!)
Company has a lead, need backup(s) (i.e. business critical)
Target(s) and structure(s) known, some SAR but
binding site(s) unknown (i.e. Science needed)
Want to identify potential binding sites and enable
chemical idea generation (i.e. Technology integration needed)
Small budget, need workflow tool (i.e public domain tools,
delivered in cloud)
How: Engage an Individual
Recent example:

19. e.g. HotSpot Identification
AutoDock Vina Multiple Docking (http://vina.scripps.edu/download.html)
Multivariate Analysis with |STAT Statistical Data Analysis (http://oldwww.acm.org/perlman/stat/)
PyMOL (https://sourceforge.net/projects/pymol/files/pymol/1.8/)

20. e.g. Workflow WebApp
*MarvinJS, dropzoneJS, etc.

21. Service engagements can leverage a wide spectrum of tools
How: Engage a s/w Company

22. Summary
Why: Fail into success
When: When you can afford it
Who: Leverage your network
What: Many available tools
Where: The cloud
How: Your project/workflow…
Building a business with and without scientific computing

23. One More Thing…

24. http://fundersandfounders.com/

25. We Know Protein!

27. Outsourcing Trends
Source: KPMG Outsourcing in the pharmaceutical industry: 2011 and beyond