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Mining Drug Space

http://miningdrugs.blogspot.com/

The size of the chemical space and biological space is just incredibly large. This explains why we need all brains, hands, and technologies for really making rational drug design. Otherwise we would just talk about bounded-bounded rational drug design.
Some more buzz-words are: drug design, structure-based drug design (SBDD), lead optimization, data mining, graph mining, decision making, cheminformatics, molecular modeling, statistical modeling, decision making, mind mapping, algorithm, global optimization

• Added on: Jun 15th, 2007
• Country: Belgium
• Language: English

• Author: Joerg Kurt Wegner
• Listed in: Science Innovation
• Tags: business intelligence data mining decision making cheminformatics drug design molecular modeling

Recent Posts

• Warren DeLano - In Memoriam

  Posted on Saturday November 7th, 2009 at 07:20 in warren delano pymol memoriam reaction memories

  The family of Warren Lyford DeLano has created a "In Memorium" page and blog. Please share your memories there !As many others, I am shocked, sad, and are left with the impression having lost something important. We never met in real-life, but exchan...

• Innovation 2.0 - Looking for a strategy in drug design and health care?

  Posted on Monday September 14th, 2009 at 13:21 in health, google, innovation, Web 2.0, collaboration, social software, health 2.0, drug design, collaborative research, micropayment, bioit

  "You can’t control what you can't measure." [Tom DeMarco]I am strongly believing in people-centric innovation for drug design and health care. Still, we have serious challenges to solve before this can happen, and a lot of them are in-vivo, not in-...

• 50 million chemicals, and accelerating - chemical patent overload?

  Posted on Thursday September 10th, 2009 at 14:07 in patent, pdf, cas, data mining, pk, pharmacokinetic, binding energy, solvation

  (via NatureNews) As reported by the Chemical Abstract Service (CAS) have they reached 50 million registered chemical entities.Here some numbers to think aboutCAS needed 33 years for registering the first 10 million compounds, that is one new compound...

• The Web for Patients, Pets, and Scientists (Panel Discussion)

  Posted on Saturday August 15th, 2009 at 12:49 in health, Web 2.0, computer science, life science, health 2.0, clinical trial, patientslikeme

  (via Jean-Claude Bradley) The panel discussion from Jimmy Wales (founder of Wikipedia), John Wilbanks (VP Creative Commons), and Stephen Friend (founder of sage) highlights a few examples of the web for scientists, pets, and patients.Army of women fo...

• Google Wave - Mission Drug Design Federation

  Posted on Sunday June 7th, 2009 at 12:02 in google, medicine, Security, information, Privacy, collaboration, data, federation, fragmentation, peer, overload, drug design

  "The Google Wave Federation Protocol may succeed email (an innovation from 1965), as the dominant form of Internet communication."[Google Wave Federation Protocol @WP]Google launched Google Wave. It is a mind-blowing technical platform, which might j...

• Drug popularity (via Google queries) - Yet Another Long Tail (YALT)

  Posted on Friday May 29th, 2009 at 17:09 in google, cholesterol, drug, ethanol, data analysis, python, cocaine, testosterone, trend, long tail, insulin, ibuprofen

  Here some drug popularity trends based on automatic Google queries. The drug names were taken from DrugBank.The top ten areCholesterolAspirinEthanolIbuprofenInsulinAcetaminophenTestosteroneCocaineOxycodoneVardenafilReferencesI used a Python script fo...

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