Is that a scientific publication or an advertisement? Reproducibility, source code and data in the computational chemistry literature

Future Medicinal Chemistry

Volumn 4, Issue 15, 2012, Pages 1885-1887

  Landrum, Gregory A ^a   Stiefl, Nikolaus ^a  

^a NOVARTIS PHARMA AG   (Switzerland)

Author keywords

computational study; reproducibility; scientific data; source code

Indexed keywords

ADVERTIZING; ALGORITHM; CHEMISTRY; COMPUTER PROGRAM; LANGUAGE; PRIORITY JOURNAL; PUBLICATION; REPRODUCIBILITY; REVIEW; SCIENTIFIC LITERATURE;

COMPUTATIONAL BIOLOGY; PUBLISHING; REPRODUCIBILITY OF RESULTS; RESEARCH;

EID: 84867940321     PISSN: 17568919     EISSN: 17568927     Source Type: Journal    
DOI: 10.4155/fmc.12.160     Document Type: Review

References (9)

1. Wicherts JM, Bakker M, Molenaar D. Willingness to share research data is related to the strength of the evidence and the quality of reporting of statistical results. PLoS ONE 6, e26828 (2011).
2. Ince DC et al. The case for open computer programs. Nature 482, 485-488 (2012).
3. Stiefl N, Watson IA, Baumann K, Zaliani A. ErG: 2D pharmacophore descriptions for scaffold hopping. J. Chem. Inf. Model. 46, 208-220 (2006).
4. Hariharan R et al. MultiMCS: a fast algorithm for the maximum common substructure problem on multiple molecules. J. Chem. Inf. Model. 51, 788-806 (2011).
5. Morin A et al. Shining light into black boxes. Science 336, 159-160 (2012).
6. Ethical Guidelines to Publication of Chemical Research. American Chemical Society. http://pubs.acs.org/userimages/ContentEditor/1218054468605/ethics.pdf
7. sourceforge -open source software development and distribution. http://sourceforge.org
8. Google code. http://code.google.com
9. github -social coding. https://github.com