• 33002672231520616501336393648791641157529PublicAssets/3458
    Computer algorithm
    Active
    View Entry

    Large-Resolution Image
    3300 x 2672 pixels
    11 × 9 inches (300 dpi)
    2.21Mb

    Medium-Resolution Image
    1650 x 1336 pixels
    11 × 9 inches (150 dpi)
    384.4kb

    Low-Resolution Image
    791 x 641 pixels
    11 × 9 inches (72 dpi)
    153.8kb

    Computer algorithm

    3458

    This computer algorithm plots all feasible small carbon-based molecules as though they were cities on a map and identifies huge, unexplored spaces that may help fuel research into new drug therapies. Featured in the May 16, 2013 issue of Biomedical Beat.
    Public Note
    Internal NoteFrom: Peter Wipf [mailto:pwipf@pitt.edu] Sent: Thursday, May 09, 2013 5:37 PM To: Piergrossi, Joe (NIH/NIGMS) [C] Subject: Re: We'd like to feature your work in an NIH research news digest Dear Joe: thank you for your message and your interest in our work. I suggest the following revisions: Chemists Find a Universe of Unexplored Small Molecules Aaron Virshup, Julia Contreras-Garcia, Peter Wipf, Weitao Yang and David Beratan ? University of Pittsburgh Center for Chemical Methodologies and Library Development There are more unique carbon-based molecules ? the bases for most pharmaceuticals ? than there are stars in the observable universe. With such a huge number of possible molecules, it?s difficult for chemists to figure out how to select the best candidates for a new function or process in the lab. Researchers have developed a computer algorithm that may help. It plots all feasible small carbon-based molecules as though they were cities on a map and identifies huge, unexplored spaces, helping fuel future discoveries such as the creation of novel drugs and medical materials. I realize that it might be customary for your newsletter to only list the PI of the grant, however, I feel strongly that the entire team needs to be acknowledged. Progress in modern research depends on scientists with different background working together, and this is only possible if everybody also shares in the recognition. Please let me know if you have any questions regarding my suggested modifications. Also, I am attaching a high-resolution picture as you requested for the graphic. with best regards, Peter
    Keywordschart
    SourceAaron Virshup, Julia Contreras-Garcia, Peter Wipf, Weitao Yang and David Beratan, University of Pittsburgh Center for Chemical Methodologies and Library Development
    Date2013-05-20 00:00:00
    Credit LineAaron Virshup, Julia Contreras-Garcia, Peter Wipf, Weitao Yang and David Beratan, University of Pittsburgh Center for Chemical Methodologies and Library Development
    Investigator
    Record TypeIllustration
    Topic Area(s);#Chemistry, Biochemistry, and Pharmacology;#Tools and Techniques;#
    Previous Uses
    StatusActive

    View All Properties
    Edit Properties
  
  
  
  
  
  
Algorithm_L.jpg
  
Low154 KB 6/3/2016 3:29 PMaamishral2 (NIH/NIGMS) [C]
Algorithm_M.jpg
  
Medium385 KB 6/3/2016 3:29 PMaamishral2 (NIH/NIGMS) [C]
Algorithm.jpg
  
High2261 KB 6/3/2016 3:29 PMaamishral2 (NIH/NIGMS) [C]
Algorithm_T.jpg
  
Thumbnail6 KB 6/3/2016 3:29 PMaamishral2 (NIH/NIGMS) [C]

 Add New Version

Note: Uploading a version which already exists will overwrite the existing version with the uploaded file.
* Uploaded thumbnails wider than 120 pixels will be reduced.