Tripod Development Cheminformatics proving ground

Time 2020-10-07 13:03:50

Web Name: Tripod Development Cheminformatics proving ground

WebSite: http://tripod.nih.gov

ID:73518

Keywords:

Development,Tripod,Cheminformatics,

Description:

In Memoriam Samuel Aboagye Posted on December 27, 2019December 27, 2019 by tripod Samuel Owusu Aboagye June 15, 1985 – October 6, 2019 It is with great sadness that we note the passing of our dear colleague, friend, father, husband, and amazing human Samuel Aboagye unexpectedly a... Read More Informatics Post-Doctoral Fellow Position Posted on January 18, 2018January 18, 2018 by tripod The informatics group at the National Center for Advancing Translational Sciences (NCATS) is seeking a creative, self-motivated post-doctoral scientist to work on development of new algorithms for pre... Read More Post-doctoral Position with the IDG Pharos Project Posted on January 15, 2018 by rajarshi The NCATS Informatics group is looking for a post-doctoral scientist to work on machine learning methods within Pharos, an interface to the Illuminating the Druggable Genome (IDG) knowledgebase. The... Read More Post-doctoral Position in Combination Screening Informatics Posted on January 29, 2015January 29, 2015 by rajarshi The NCATS Informatics group is looking for a post-doctoral scientist to work on methodology development for the analysis and visualization of drug combination screening data. Currently, the NCATS Ma... Read More In memoriam Eric Dawson Posted on December 8, 2014 by tripod It s with great sadness that we note the passing our collaborator Eric Dawson. Through the BARD project we got to know Eric as a friendly, engaging and effective collaborator; his enthusiasms and laid... Read More NCATSFind: Resolving Chemical Content in Browser Posted on March 19, 2014December 4, 2015 by Tyler Peryea We have recently developed NCATSFind: a Firefox add-on to help users resolve web content to real chemical structures. The goal is to make discovering, displaying and downloading chemical structures as... Read More Do structurally similar molecules have similar hash codes? Posted on May 25, 2013March 11, 2015 by tripod Molecular hash codes are fixed-length alphanumeric encoding of molecular graphs. They play a key role within chemical data management systems in facilitating (among other things) structural identity a... Read More Hopping for success Posted on April 17, 2013April 30, 2013 by tripod Molecular scaffold is a fundamental concept in medicinal chemistry. Perhaps nowhere this is more apparent than during early stage discovery, where scaffolds are the primary means by which medicinal ch... Read More PubChem fingerprint revisited Posted on December 26, 2012February 8, 2013 by tripod A few years ago we made available our implementation of the PubChem substructure keys fingerprint. Being it was our first attempt, there were a number of shortcomings with the implementation in terms ... Read More An online version of the Lilly reactivity promiscuity filters Posted on November 3, 2012November 3, 2012 by rajarshi Recently Bruns Watson published a paper describing a set of rules to filter out (potenially) reactive and promiscuous small molecules. There are 275 rules addressing a variety of possible reason... Read More Charting chemical space Posted on April 30, 2012April 22, 2013 by tripod Charting, in a technical sense, is the process of mapping objects in high dimensional space to lower dimensional subspace, something which we have previously discussed using the FastMap algorithm. In ... Read More Library synthesizer Posted on February 15, 2012April 22, 2013 by tripod Update March 2, 2013: The complete code to this tool is available here. Library enumeration and profiling are an integral part of a medicinal chemist s repertoire during early-stage discovery. Whether... Read More Large scale substructure searching Posted on November 22, 2011 by tripod Motivated by the recent renewed interest in substructure searching in the literature, we recently develop a proof-of-concept, self-contained substructure searching engine that can scale to large datab... Read More MLBD browser Posted on October 24, 2011 by tripod To date, the NIH Molecular Libraries Program (MLP)—through its comprehensive and specialized centers—has produced an unprecedented amount of experimental data characterizing various levels of inte... Read More On faster substructure searching Posted on September 22, 2011 by tripod With the rapid growth of chemical databases such as vendor catalogs and in-house screening collections, the constant desire to improve on (sub-) structure searching performance has never been more jus... Read More Siphonify Posted on August 29, 2011August 30, 2011 by tripod After a somewhat long hiatus (mostly in trying to tie up loose ends for the NPC browser), we re finally back! Motivated by the feedback that we ve received from the NPC browser, for the past few weeks... Read More NPC paper Posted on April 27, 2011 by tripod The paper describing the NCGC pharmaceutical collection (NPC) resource has just been published in the current issue of Science Translational Medicine. Among other things, the paper definitively resolv... Read More The kinome navigator Posted on April 13, 2011April 22, 2013 by tripod In a recent paper, Metz et al. describe a statistical framework for constructing the kinome polypharmacology network. Using a large kinase panel (i.e., more than 150,000 activity values across 172 kin... Read More The human kinome Java component Posted on March 2, 2011February 19, 2013 by tripod Update Feb. 2, 2013: This Java package is obsoleted; please checkout the latest code here. Recently, we received a request to be able to access to the human kinome dendrogram programmatically.  We th... Read More How many drugs are there? Posted on February 19, 2011May 29, 2011 by tripod Update May 29, 2011: Please see this post for the answer to the above question. The NCGC Pharmaceutical Collection (NPC), as we noted earlier, is a result of our ongoing efforts to construct a definit... Read More

TAGS:Development Tripod Cheminformatics 

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