OSIRIS, an Entirely in-House Developed Drug Discovery Informatics System Export

@article{SanderFKRR09, abstract = {We present OSIRIS, an entirely in-house developed drug discovery informatics system. Its components cover all information handling aspects from compound synthesis via biological testing to preclinical development. Its design principles are platform and vendor independence, a consistent look and feel, and complete coverage of the drug discovery process by custom tailored applications. These include electronic laboratory notebook applications for biology and chemistry, tools for high-throughput and secondary screening evaluation, chemistry-aware data visualization, physicochemical property prediction, 3D-pharmacophore comparisons, interactive modeling, computing grid based ligand-protein docking, and more. Most applications are developed in Java and are built on top of a Java library layer that provides reusable cheminformatics functionality and GUI components such as chemical editors, structure canonicalization, substructure search, combinatorial enumeration, enhanced stereo perception, force field minimization, and conformation generation.}, author = {Sander, Thomas and Freyss, Joel and von Korff, Modest and Reich, Jacqueline R. and Rufener, Christian}, booktitle = {Journal of Chemical Information and Modeling}, citeulike-article-id = {3996698}, citeulike-linkout-0 = {http://dx.doi.org/10.1021/ci800305f}, citeulike-linkout-1 = {http://pubs.acs.org/doi/abs/10.1021/ci800305f}, day = {23}, doi = {10.1021/ci800305f}, journal = {Journal of Chemical Information and Modeling}, keywords = {actelion, datawarrior, docking, e-lab, hts, notebook}, month = {February}, number = {2}, pages = {232--246}, posted-at = {2009-03-10 12:40:51}, priority = {2}, title = {OSIRIS, an Entirely in-House Developed Drug Discovery Informatics System}, url = {http://dx.doi.org/10.1021/ci800305f}, volume = {49}, year = {2009} }

TY - JOUR ID - SanderFKRR09 L3 - citeulike-article-id:3996698 N2 - We present OSIRIS, an entirely in-house developed drug discovery informatics system. Its components cover all information handling aspects from compound synthesis via biological testing to preclinical development. Its design principles are platform and vendor independence, a consistent look and feel, and complete coverage of the drug discovery process by custom tailored applications. These include electronic laboratory notebook applications for biology and chemistry, tools for high-throughput and secondary screening evaluation, chemistry-aware data visualization, physicochemical property prediction, 3D-pharmacophore comparisons, interactive modeling, computing grid based ligand-protein docking, and more. Most applications are developed in Java and are built on top of a Java library layer that provides reusable cheminformatics functionality and GUI components such as chemical editors, structure canonicalization, substructure search, combinatorial enumeration, enhanced stereo perception, force field minimization, and conformation generation. IS - 2 JF - Journal of Chemical Information and Modeling EP - 246 TI - OSIRIS, an Entirely in-House Developed Drug Discovery Informatics System VL - 49 T2 - Journal of Chemical Information and Modeling SP - 232 KW - actelion KW - datawarrior KW - docking KW - e-lab KW - hts KW - notebook AU - Sander, Thomas AU - Freyss, Joel AU - von Korff, Modest AU - Reich, Jacqueline AU - Rufener, Christian PY - 2009/02/23/ UR - http://dx.doi.org/10.1021/ci800305f ER -