Literature DB >> 19536101

A crowdsourcing evaluation of the NIH chemical probes.

Tudor I Oprea1, Cristian G Bologa, Scott Boyer, Ramona F Curpan, Robert C Glen, Andrew L Hopkins, Christopher A Lipinski, Garland R Marshall, Yvonne C Martin, Liliana Ostopovici-Halip, Gilbert Rishton, Oleg Ursu, Roy J Vaz, Chris Waller, Herbert Waldmann, Larry A Sklar.   

Abstract

Between 2004 and 2008, the US National Institutes of Health Molecular Libraries and Imaging initiative pilot phase funded 10 high-throughput screening centers, resulting in the deposition of 691 assays into PubChem and the nomination of 64 chemical probes. We crowdsourced the Molecular Libraries and Imaging initiative output to 11 experts, who expressed medium or high levels of confidence in 48 of these 64 probes.

Entities:  

Mesh：

Substances：

Year:  2009        PMID： 19536101      PMCID： PMC3596119          DOI： 10.1038/nchembio0709-441

Source DB:  PubMed          Journal:  Nat Chem Biol        ISSN： 1552-4450            Impact factor:   15.040


  17 in total

1.  The Design of Leadlike Combinatorial Libraries.

Authors: 
Journal:  Angew Chem Int Ed Engl       Date:  1999-12-16       Impact factor: 15.336

2.  Development of a virtual screening method for identification of "frequent hitters" in compound libraries.

Authors:  Olivier Roche; Petra Schneider; Jochen Zuegge; Wolfgang Guba; Manfred Kansy; Alexander Alanine; Konrad Bleicher; Franck Danel; Eva-Maria Gutknecht; Mark Rogers-Evans; Werner Neidhart; Henri Stalder; Michael Dillon; Eric Sjögren; Nader Fotouhi; Paul Gillespie; Robert Goodnow; William Harris; Phil Jones; Mikio Taniguchi; Shinji Tsujii; Wolfgang von der Saal; Gerd Zimmermann; Gisbert Schneider
Journal:  J Med Chem       Date:  2002-01-03       Impact factor: 7.446

3.  Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices.

Authors:  I V Tetko; V Y Tanchuk; A E Villa
Journal:  J Chem Inf Comput Sci       Date:  2001 Sep-Oct

Review 4.  Integrating virtual screening in lead discovery.

Authors:  Tudor I Oprea; Hans Matter
Journal:  Curr Opin Chem Biol       Date:  2004-08       Impact factor: 8.822

5.  Reporting data from high-throughput screening of small-molecule libraries.

Authors:  James Inglese; Caroline E Shamu; R Kiplin Guy
Journal:  Nat Chem Biol       Date:  2007-08       Impact factor: 15.040

Review 6.  Molecular diversity in the context of leadlikeness: compound properties that enable effective biochemical screening.

Authors:  Gilbert M Rishton
Journal:  Curr Opin Chem Biol       Date:  2008-03-25       Impact factor: 8.822

Review 7.  The influence of lead discovery strategies on the properties of drug candidates.

Authors:  György M Keserü; Gergely M Makara
Journal:  Nat Rev Drug Discov       Date:  2009-03       Impact factor: 84.694

8.  A scoring scheme for discriminating between drugs and nondrugs.

Authors:  J Sadowski; H Kubinyi
Journal:  J Med Chem       Date:  1998-08-27       Impact factor: 7.446

9.  Can we learn to distinguish between "drug-like" and "nondrug-like" molecules?

Authors:  A Ajay; W P Walters; M A Murcko
Journal:  J Med Chem       Date:  1998-08-27       Impact factor: 7.446

Review 10.  The application of discovery toxicology and pathology towards the design of safer pharmaceutical lead candidates.

Authors:  Jeffrey A Kramer; John E Sagartz; Dale L Morris
Journal:  Nat Rev Drug Discov       Date:  2007-08       Impact factor: 84.694
View more
  45 in total

1.  Of possible cheminformatics futures.

Authors:  Tudor I Oprea; Olivier Taboureau; Cristian G Bologa
Journal:  J Comput Aided Mol Des       Date:  2011-12-30       Impact factor: 3.686

2.  Identifying mechanism-of-action targets for drugs and probes.

Authors:  Elisabet Gregori-Puigjané; Vincent Setola; Jérôme Hert; Brenda A Crews; John J Irwin; Eugen Lounkine; Lawrence Marnett; Bryan L Roth; Brian K Shoichet
Journal:  Proc Natl Acad Sci U S A       Date:  2012-06-18       Impact factor: 11.205

3.  Chemical space: missing pieces in cheminformatics.

Authors:  Sean Ekins; Rishi R Gupta; Eric Gifford; Barry A Bunin; Chris L Waller
Journal:  Pharm Res       Date:  2010-08-04       Impact factor: 4.200

Review 4.  PubChem as a public resource for drug discovery.

Authors:  Qingliang Li; Tiejun Cheng; Yanli Wang; Stephen H Bryant
Journal:  Drug Discov Today       Date:  2010-10-21       Impact factor: 7.851

5.  Dark chemical matter as a promising starting point for drug lead discovery.

Authors:  Anne Mai Wassermann; Eugen Lounkine; Dominic Hoepfner; Gaelle Le Goff; Frederick J King; Christian Studer; John M Peltier; Melissa L Grippo; Vivian Prindle; Jianshi Tao; Ansgar Schuffenhauer; Iain M Wallace; Shanni Chen; Philipp Krastel; Amanda Cobos-Correa; Christian N Parker; John W Davies; Meir Glick
Journal:  Nat Chem Biol       Date:  2015-10-19       Impact factor: 15.040

6.  Distributed human intelligence for colonic polyp classification in computer-aided detection for CT colonography.

Authors:  Tan B Nguyen; Shijun Wang; Vishal Anugu; Natalie Rose; Matthew McKenna; Nicholas Petrick; Joseph E Burns; Ronald M Summers
Journal:  Radiology       Date:  2012-01-24       Impact factor: 11.105

Review 7.  Drugging the PI3 kinome: from chemical tools to drugs in the clinic.

Authors:  Paul Workman; Paul A Clarke; Florence I Raynaud; Rob L M van Montfort
Journal:  Cancer Res       Date:  2010-02-23       Impact factor: 12.701

Review 8.  Chemical predictive modelling to improve compound quality.

Authors:  John G Cumming; Andrew M Davis; Sorel Muresan; Markus Haeberlein; Hongming Chen
Journal:  Nat Rev Drug Discov       Date:  2013-12       Impact factor: 84.694

9.  Reaching out to collaborators: crowdsourcing for pharmaceutical research.

Authors:  Sean Ekins; Antony J Williams
Journal:  Pharm Res       Date:  2010-01-27       Impact factor: 4.200

10.  The art of the chemical probe.

Authors:  Stephen V Frye
Journal:  Nat Chem Biol       Date:  2010-03       Impact factor: 15.040
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.