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| author | Christoph Helma <helma@in-silico.ch> | 2016-01-22 16:55:39 +0100 |
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| committer | Christoph Helma <helma@in-silico.ch> | 2016-01-22 16:55:39 +0100 |
| commit | fbc7ec1f342767052e23d6430ea94f0ae7c8d27f (patch) | |
| tree | 106c12587d813d3ab33345cbb2395e135c10b5b9 /presentation/enm-workshop.rst | |
| parent | 7da754f80a414810a8c4721e1e4ed9b4c2d706d7 (diff) | |
rendered workshop presentation
Diffstat (limited to 'presentation/enm-workshop.rst')
| -rw-r--r-- | presentation/enm-workshop.rst | 70 |
1 files changed, 51 insertions, 19 deletions
diff --git a/presentation/enm-workshop.rst b/presentation/enm-workshop.rst index 7adae46..26a3524 100644 --- a/presentation/enm-workshop.rst +++ b/presentation/enm-workshop.rst @@ -1,30 +1,57 @@ -# Nanoparticle read across toxicity predictions with nano-lazar +.. |date| date:: -# Requirements + + +============================================================= +Read across toxicity predictions with nano-lazar +============================================================= + +.. class:: center + + Christoph Helma + + in silico toxicology gmbh + + .. image:: http://www.enanomapper.net/sites/all/themes/theme807/logo.png + :align: center + +Requirements +============ - Nanoparticle characterisation - Toxicity measurements -# eNanoMapper data import -Nanoparticles imported: 464 -Nanoparticles with particle characterisation: 394 -Nanoparticles with toxicity data: 167 -Nanoparticles with toxicity data and particle characterisation: 160 +eNanoMapper data import +======================= -# eNanoMapper toxicity endpoints +.. class:: incremental -.. alles ohne falsch? zugewiesene protein corona tox endpoints -Toxicity endpoints: 41 -Toxicity endpoints with more than one measurement value: 22 -Toxicity endpoints with more than 10 measurements: 2 + - Nanoparticles imported: 464 + - Nanoparticles with particle characterisation: 394 + - Nanoparticles with toxicity data: 167 + - Nanoparticles with toxicity data and particle characterisation: 160 -# Selected data + +eNanoMapper toxicity endpoints +============================== + +.. class:: incremental + +- Toxicity endpoints: 41 +- Toxicity endpoints with more than one measurement value: 22 +- Toxicity endpoints with more than 10 measurements: 2 + +Selected data +============= Protein corona dataset Au particles (106 particles) -Toxicity endpoint: +Toxicity endpoint: + +Read across procedure +===================== -# Read across procedure +.. class:: incremental - Identify relevant fragments (significant correlation with toxicity) TODO list of fragments, number @@ -32,7 +59,8 @@ Toxicity endpoint: - Identify neighbors (particles with more than 0.95 similarity) - Calculate prediction (weighted average from neighbors, similarities = weights) -# Future development +Future development +================== - Validation of predictions - Applicability domain/reliability of predictions @@ -46,12 +74,16 @@ Toxicity endpoint: - Usability improvements: - additional data (extension of applicability domain, additional endpoints and chemistries) - inclusion of ontologies - - Descriptor calculation directly from core and coating chemistries + - descriptor calculation directly from core and coating chemistries + +Webinterface +============ -# Webinterface +https://nano-lazar.in-silico.ch/predict Your recommendations? -# Source code +Source code +=========== https://github.com/opentox/nano-lazar |