A crowdsourcing evaluation of the NIH chemical probes.

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.

[1]  M. Polanyi,et al.  Personal Knowledge: Towards a post-critical philosophy , 1959 .

[2]  A. Leo.  CALCULATING LOG POCT FROM STRUCTURES , 1993 .

[3]  G. Rishton.  Reactive compounds and in vitro false positives in HTS , 1997 .

[4]  F. Lombardo,et al.  Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings , 1997 .

[5]  Ajay,et al.  Can we learn to distinguish between "drug-like" and "nondrug-like" molecules? , 1998, Journal of medicinal chemistry.

[6]  H. Kubinyi,et al.  A scoring scheme for discriminating between drugs and nondrugs. , 1998, Journal of medicinal chemistry.

[7]  Tudor I. Oprea,et al.  The Design of Leadlike Combinatorial Libraries. , 1999, Angewandte Chemie.

[8]  Andrew R. Leach,et al.  Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery , 2001, J. Chem. Inf. Comput. Sci..

[9]  Igor V. Tetko,et al.  Prediction of n-Octanol/Water Partition Coefficients from PHYSPROP Database Using Artificial Neural Networks and E-State Indices , 2001, J. Chem. Inf. Comput. Sci..

[10]  Wolfgang Guba,et al.  Development of a virtual screening method for identification of "frequent hitters" in compound libraries. , 2002, Journal of medicinal chemistry.

[11]  Tudor I. Oprea.  On the information content of 2D and 3D descriptors for QSAR , 2002 .

[12]  U. Norinder,et al.  Computational approaches to the prediction of the blood-brain distribution. , 2002, Advanced drug delivery reviews.

[13]  Henry Chesbrough,et al.  Open Innovation: The New Imperative for Creating and Profiting from Technology , 2003 .

[14]  B. Shoichet,et al.  A specific mechanism of nonspecific inhibition. , 2003, Journal of medicinal chemistry.

[15]  B. Shoichet,et al.  Identification and prediction of promiscuous aggregating inhibitors among known drugs. , 2003, Journal of medicinal chemistry.

[16]  James Surowiecki.  The wisdom of crowds: Why the many are smarter than the few and how collective wisdom shapes business, economies, societies, and nations Doubleday Books. , 2004 .

[17]  T. Insel,et al.  NIH Molecular Libraries Initiative , 2004, Science.

[18]  Tudor I. Oprea,et al.  Integrating virtual screening in lead discovery. , 2004, Current opinion in chemical biology.

[19]  Tudor I. Oprea,et al.  High-Throughput Screening with HyperCyt® Flow Cytometry to Detect Small Molecule Formylpeptide Receptor Ligands , 2005, Journal of biomolecular screening.

[20]  Van V. Brantner,et al.  Estimating the cost of new drug development: is it really 802 million dollars? , 2006, Health affairs.

[21]  Alex Polinsky,et al.  Knowledge and Intelligence in Drug Design , 2006 .

[22]  J. Kramer,et al.  The application of discovery toxicology and pathology towards the design of safer pharmaceutical lead candidates , 2007, Nature Reviews Drug Discovery.

[23]  James Inglese,et al.  Reporting data from high-throughput screening of small-molecule libraries. , 2007, Nature chemical biology.

[24]  Roy J. Vaz,et al.  Antitargets : prediction and prevention of drug side effects , 2008 .

[25]  Jeff Howe,et al.  Crowdsourcing: Why the Power of the Crowd Is Driving the Future of Business , 2008, Human Resource Management International Digest.

[26]  G. Rishton,et al.  Molecular diversity in the context of leadlikeness: compound properties that enable effective biochemical screening. , 2008, Current opinion in chemical biology.

[27]  Jocelyn Kaiser,et al.  Industrial-Style Screening Meets Academic Biology , 2008, Science.

[28]  György M. Keserü,et al.  The influence of lead discovery strategies on the properties of drug candidates , 2009, Nature Reviews Drug Discovery.