Cheminformatics

Results: 1164



#Item
261Cheminformatics / Computational chemistry / Quantitative structure–activity relationship / Science / Organisation for Economic Co-operation and Development / Pharmacology / Medicinal chemistry / Chemistry

OECD QSAR Toolbox v.3.1 Example for predicting skin sensitisation potential of (2E,6Z)-2,6-nonadien-1-ol accounting for skin metabolism Outlook

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Source URL: oasis-lmc.org

Language: English - Date: 2013-06-27 09:23:41
262Medicinal chemistry / Pharmacology / Quantitative structure–activity relationship / Chemistry / Toxicity / Profiling / Science / Toxicology / Cheminformatics / Computational chemistry

REACH-IT Industry User Manual

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Source URL: oasis-lmc.org

Language: English - Date: 2013-07-03 01:39:13
263Medicinal chemistry / Pharmacology / Quantitative structure–activity relationship / Chemistry / Toxicity / Profiling / Science / Toxicology / Cheminformatics / Computational chemistry

REACH-IT Industry User Manual

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Source URL: oasis-lmc.org

Language: English - Date: 2013-07-02 07:10:14
264Cheminformatics / Computational chemistry / Quantitative structure–activity relationship / Science / Workflow technology / Organisation for Economic Co-operation and Development / Workflow / Business / Pharmacology / Medicinal chemistry / Chemistry

OECD QSAR Toolbox v.3.2 Step by step example how to predict acute aquatic toxicity to Daphnia for the 3-ethyl-5-methyl-3methoxyphenol by the trend analysis approach The OECD QSAR Toolbox for Grouping Chemicals into Categ

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Source URL: oasis-lmc.org

Language: English - Date: 2014-01-02 11:02:22
265Procedural programming languages / Chemical nomenclature / Cheminformatics / Identifiers / Encodings / International Chemical Identifier / Pointer / Application programming interface / C / Computing / Software engineering / Programming language theory

IUPAC International Chemical Identifier (InChI) InChI version 1, software version[removed]September[removed]API Reference Last revision date: September 12, 2011

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Source URL: www.inchi-trust.org

Language: English - Date: 2014-10-20 03:20:41
266Categorical data / Bioinformatics / Cheminformatics / Sensitivity and specificity / Street and Racing Technology / Positive predictive value / Statistics / Biostatistics / Medical statistics

Predicting Falls In Older Persons Using Simple Visual Reaction Times. Shari Maver, Northern Health Professor Karen Dodd, La Trobe University Associate Professor Hylton Menz, La Trobe University

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Source URL: www.mednwh.unimelb.edu.au

Language: English - Date: 2010-06-16 04:06:30
267Chemistry / Science / Computational chemistry / Quantitative structure–activity relationship / Workflow / Organisation for Economic Co-operation and Development / Business / Cheminformatics / Pharmacology / Medicinal chemistry

[removed]OECD QSAR Toolbox v.3.0 Step-by-step example of how to evaluate an ad-hoc category of aliphatic amines and to predict an ecotoxicological endpoint

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Source URL: oasis-lmc.org

Language: English - Date: 2013-02-11 07:43:23
268Chemistry / Medicinal chemistry / Econometrics / Regression analysis / Neural networks / Quantitative structure–activity relationship / Molecular descriptor / Artificial neural network / Feedforward neural network / Statistics / Science / Cheminformatics

j1 1 Current Modeling Methods Used in QSAR/QSPR Liew Chin Yee and Yap Chun Wei

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Source URL: www.wiley-vch.de

Language: English - Date: 2012-05-06 21:05:24
269Chemistry / Science / Cheminformatics / Quantitative structure–activity relationship / Organisation for Economic Co-operation and Development / Tautomer / Workflow / Business / Pharmacology / Medicinal chemistry / Computational chemistry

OECD QSAR Toolbox v.3.1 Predicting skin sensitization potential of 3,4-dinitrophenol taking into account tautomerism Outlook

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Source URL: oasis-lmc.org

Language: English - Date: 2013-06-27 09:23:44
270Chemistry / Drug discovery / Pharmacology / Cheminformatics / Clinical research / Quantitative structure–activity relationship / Partition coefficient / Virtual screening / High-throughput screening / Pharmaceutical sciences / Science / Medicinal chemistry

April 3, [removed]:3 WSPC/Trim Size: 11in x 8.5in for Proceedings

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Source URL: www.dtc.umn.edu

Language: English - Date: 2012-08-16 12:29:04
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