Applicability domain - AILBRY

Results for 'Applicability domain' :

Mechanistic Applicability Domain Classification of a Local Lymph Node Assay Dataset for Skin Sensitization

Publication Year: 2007

DOI: https://doi.org/10.1021/tx700024w

Abstract:

Authors:
- David W. Roberts
- Grace Patlewicz
- Petra Kern
- Frank Gerberick
- Ian Kimber
- Rebecca J. Dearman
- Cindy A. Ryan
- David A. Basketter
- Aynur O. Aptula
Current Status of Methods for Defining the Applicability Domain of (Quantitative) Structure-Activity Relationships

Publication Year: 2005

DOI: https://doi.org/10.1177/026119290503300209

Abstract:

Authors:
- Tatiana I. Netzeva
- Andrew Worth
- Tom Aldenberg
- Romualdo Benigni
- Mark T.D. Cronin
- Paola Gramatica
- Joanna Jaworska
- Scott D. Kahn
- Gilles Klopman
- Carol A. Marchant
- Glenn J. Myatt
- Nina Jeliazkova
- Grace Patlewicz
- Roger Perkins
- David W. Roberts
- T.W. Schultz
- David T. Stanton
- Johannes J.M. van de Sandt
- Weida Tong
- Gilman D. Veith
- Chihae Yang
On a simple approach for determining applicability domain of QSAR models

Publication Year: 2015

DOI: https://doi.org/10.1016/j.chemolab.2015.04.013

Abstract:

Authors:
- Kunal Roy
- Supratik Kar
- Pravin Ambure
QSAR Applicability Domain Estimation by Projection of the Training Set in Descriptor Space: A Review

Publication Year: 2005

DOI: https://doi.org/10.1177/026119290503300508

Abstract:

Authors:
- Joanna Jaworska
- Nina Jeliazkova
- Tom Aldenberg
Comparison of Different Approaches to Define the Applicability Domain of QSAR Models

Publication Year: 2012

DOI: https://doi.org/10.3390/molecules17054791

Abstract:

Authors:
- Faizan Sahigara
- Kamel Mansouri
- Davide Ballabio
- Andrea Mauri
- Viviana Consonni
- Roberto Todeschini
Predictive QSAR Modeling Workflow, Model Applicability Domains, and Virtual Screening

Publication Year: 2007

DOI: https://doi.org/10.2174/138161207782794257

Abstract:

Authors:
- Alexander Tropsha
- Alexander Golbraikh
Applicability Domain for QSAR Models

Publication Year: 2016

DOI: https://doi.org/10.4018/ijqspr.2016010102

Abstract:

Authors:
- Domenico Gadaleta
- Giuseppe Felice Mangiatordi
- Marco Catto
- Angelo Carotti
- Orazio Nicolotti
A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models

Publication Year: 2005

DOI: https://doi.org/10.1021/ci0500381

Abstract:

Authors:
- S. Dimitrov
- Gergana Dimitrova
- Todor Pavlov
- Nadezhda Dimitrova
- Grace Patlewicz
- Jay Russell Niemelä
- Ovanes G. Mekenyan
Chemoinformatic Classification Methods and their Applicability Domain

Publication Year: 2016

DOI: https://doi.org/10.1002/minf.201501019

Abstract:

Authors:
- Miriam Mathea
- Waldemar Klingspohn
- Knut Baumann
Mechanistic Applicability Domains for Nonanimal-Based Prediction of Toxicological End Points: General Principles and Application to Reactive Toxicity

Publication Year: 2006

DOI: https://doi.org/10.1021/tx0601004

Abstract:

Authors:
- Aynur O. Aptula
- David W. Roberts
Skin Sensitization: Reaction Mechanistic Applicability Domains for Structure−Activity Relationships

Publication Year: 2005

DOI: https://doi.org/10.1021/tx050075m

Abstract:

Authors:
- Aynur O. Aptula
- Grace Patlewicz
- David W. Roberts
Mechanistic Applicability Domains for Non-Animal Based Prediction of Toxicological Endpoints. QSAR Analysis of the Schiff Base Applicability Domain for Skin Sensitization

Publication Year: 2006

DOI: https://doi.org/10.1021/tx060102o

Abstract:

Authors:
- David W. Roberts
- Aynur O. Aptula
- Grace Patlewicz
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

Publication Year: 2010

DOI: https://doi.org/10.1021/ci100253r

Abstract:

Authors:
- Iurii Sushko
- Sergii Novotarskyi
- Robert Körner
- Anil Kumar Pandey
- Artem Cherkasov
- Jiazhong Li
- Paola Gramatica
- Katja Hansen
- Timon Schroeter
- Klaus‐Robert Müller
- Lili Xi
- Huanxiang Liu
- Xiaojun Yao
- Tomas Öberg
- Farhad Hormozdiari
- Phuong Dao
- Cenk Sahinalp
- Roberto Todeschini
- Pavel Polishchuk
- A. G. Artemenko
- V. Е. Kuz’min
- Todd M. Martin
- Douglas M. Young
- Denis Fourches
- Eugene Muratov
- Alexander Tropsha
- Igor I. Baskin
- Dragos Horvath
- Gilles Marcou
- Christophe Müller
- Alexander Varnek
- В. В. Прокопенко
- Igor V. Tetko
Critical Assessment of QSAR Models of Environmental Toxicity against <i>Tetrahymena pyriformis:</i> Focusing on Applicability Domain and Overfitting by Variable Selection

Publication Year: 2008

DOI: https://doi.org/10.1021/ci800151m

Abstract:

Authors:
- Igor V. Tetko
- Iurii Sushko
- Anil Kumar Pandey
- Hao Zhu
- Alexander Tropsha
- Ester Papa
- Tomas Öberg
- Roberto Todeschini
- Denis Fourches
- Alexandre Varnek
Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models

Publication Year: 2009

DOI: https://doi.org/10.1021/ci9000579

Abstract:

Authors:
- Dragos Horvath
- Gilles Marcou
- Varnek Alexandre

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AILBRY - Article Search

Results for 'Applicability domain' :

Mechanistic Applicability Domain Classification of a Local Lymph Node Assay Dataset for Skin Sensitization

Current Status of Methods for Defining the Applicability Domain of (Quantitative) Structure-Activity Relationships

On a simple approach for determining applicability domain of QSAR models

QSAR Applicability Domain Estimation by Projection of the Training Set in Descriptor Space: A Review

Comparison of Different Approaches to Define the Applicability Domain of QSAR Models

Predictive QSAR Modeling Workflow, Model Applicability Domains, and Virtual Screening

Applicability Domain for QSAR Models

A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models

Chemoinformatic Classification Methods and their Applicability Domain

Mechanistic Applicability Domains for Nonanimal-Based Prediction of Toxicological End Points: General Principles and Application to Reactive Toxicity

Skin Sensitization: Reaction Mechanistic Applicability Domains for Structure−Activity Relationships

Mechanistic Applicability Domains for Non-Animal Based Prediction of Toxicological Endpoints. QSAR Analysis of the Schiff Base Applicability Domain for Skin Sensitization

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

Critical Assessment of QSAR Models of Environmental Toxicity against <i>Tetrahymena pyriformis:</i> Focusing on Applicability Domain and Overfitting by Variable Selection

Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models

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