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GENERAL CONCEPTS IN QSAR FOR USING THE
QSAR APPLICATION TOOLBOX
Barcelona April, 2008 Overview of the QSAR Application Toolbox Gilman Veith International QSAR Foundation Duluth, Minnesota
OECD QSAR Toolbox v.3 Background • Objectives • Specific Aims • Trend analysis • The exercise • Workflow • Save the prediction result The OECD QSAR Toolbox for Grouping
Final report Ontology SC1 May14 - QSAR Toolbox
OECD QSAR Toolbox v.3oasis-lmc.org/media/63669/Tutorial_4_Prediction of... · Predicting acute aquatic toxicity to fish of 4- ... tautomerism of target chemical. The OECD QSAR Toolbox
OECD QSAR Toolbox v.3 - Laboratory of …oasis-lmc.org/media/70771/Tutorial_12_TB 3.4.pdf · The OECD QSAR Toolbox for Grouping Chemicals into Categories 2115.07.2016 21 ... The OECD
QSAR Toolbox as read-across/category building platform
OECD QSAR Toolbox v.4 · OECD QSAR Toolbox v.4.0 Tutorial for using the PBT prioritization scheme The OECD QSAR Toolbox for Grouping Chemicals into Categories April 2017 1
QSAR Toolbox Import wizard - Laboratory of …oasis-lmc.org/media/63342/QSAR Toolbox Import wizard.pdfQSAR Toolbox User Manual QSAR Toolbox Import Wizard Document v ersion 1.0 Page
OECD QSAR Toolbox v.4 · OECD QSAR Toolbox v.4.1 Predicting acute aquatic toxicity to fish of Dodecanenitrile (CAS 2437-25-4) taking into account tautomerism
OECD QSAR Toolbox v.3 OECD QSAR Toolbox for Grouping Chemicals into Categories 6.12.2013 34 Category Definition Defining US-EPA New Chemical category 1. Highlight “US-EPA New Chemical
OECD QSAR Toolbox v.4 - oasis-lmc.orgoasis-lmc.org/media/75783/Tutorial_2_TB 4.2_Example illustrating... · Background The OECD QSAR Toolbox for Grouping Chemicals into Categories
OECD QSAR Toolbox v.4oasis-lmc.org/media/73967/Tutorial_4_Standardised...OECD QSAR Toolbox v.4.0 Tutorial of how to use Standardized workflow for ecotoxicological prediction 1 This
OECD QSAR Toolbox v.4 · OECD QSAR Toolbox v.4.1 Tutorial on how to predict Skin sensitization potential taking into account alert performance •
OECD QSAR Toolbox v.3oasis-lmc.org/media/70777/Tutorial_14_TB 3.4.pdf · 2D representations of the ... The OECD QSAR Toolbox for Grouping Chemicals into Categories 15.07.2016 34
OECD QSAR Toolbox v.3oasis-lmc.org/media/70789/Tutorial_18_TB 3.4.pdfThe OECD QSAR Toolbox for Grouping Chemicals into Categories 15.07.2016 17 Example 1 c1ccc(Nc2ccccc2)cc1 • Substituted
OECD QSAR Toolbox v.4oasis-lmc.org/media/75801/Tutorial_8_TB 4.2_Manipulation... · 2020. 1. 18. · The OECD QSAR Toolbox for Grouping Chemicals into Categories March, 2018 32. Data
OECD QSAR Toolbox v.4oasis-lmc.org/media/74789/Tutorial_3_TB 4.1_Predicting aquatic toxicity to daphnia by...OECD QSAR Toolbox v.4.1 Step by step example how to predict acute aquatic
OECD QSAR Toolbox v.3 3.3_Query To… · • Data search • Search for data and metadata within imported databases ... The OECD QSAR Toolbox for Grouping Chemicals into Categories
OECD QSAR Toolbox v.3oasis-lmc.org/media/63998/Tutorial_4_Prediction_of_Acute... · 2020-01-18 · 2D representations of the ... The OECD QSAR Toolbox for Grouping Chemicals into
OECD QSAR Toolbox v.4 4.1... · Background • Objectives • Specific Aims • Automated workflow • The exercise Outlook The OECD QSAR Toolbox for Grouping Chemicals into Categories
OECD QSAR Toolbox v.3 - Laboratory of Mathematical Chemistry
OECD QSAR Toolbox v.4...Workflow Outlook The OECD QSAR Toolbox for Grouping Chemicals into Categories March, 2018 14. The Toolbox has six modules which are used in a sequential workflow:
General Concepts in QSAR for Using the QSAR Application Toolbox Part 2
OECD QSAR Toolbox v.3
OECD QSAR Toolbox v.3 - Laboratory of …oasis-lmc.org/media/70834/Tutorial_9_TB 3.4.pdf · The OECD QSAR Toolbox for Grouping Chemicals into Categories 2115.07.2016 . 1. ... The
OECD QSAR Toolbox v.3oasis-lmc.org/media/70810/Tutorial_24_TB 3.4.pdfOECD QSAR Toolbox v.3.4 Predicting developmental and reproductive toxicity of Diuron (CAS 330-54-1) based on DART
OECD QSAR Toolbox v.4oasis-lmc.org/media/74738/Tutorial_13_TB 4.1_Endpoint vs. endpoint correlation using...Correlation of endpoint data Spearman coefficient factor The OECD QSAR Toolbox
OECD QSAR Toolbox v.4 · PubChem features Overview The OECD QSAR Toolbox for Grouping Chemicals into Categories April, 2017 7 The PubChem generates a binary substructure fingerprint
General Concepts in QSAR for Using the QSAR Application Toolbox Part 1
OECD QSAR Toolbox v.3 › env › ehs › risk-assessment › Tutorial_17_TB 3.3_AO… · 23.02.2015 29 The OECD QSAR Toolbox for Grouping Chemicals into Categories Example 1 1.The