Challenges and Advances in Computational Chemistry and Physics - Advances in QSAR Modeling
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Published By Springer International Publishing

9783319568492, 9783319568508

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In Silico Approaches for the Prediction of In Vivo Biotransformation Rates

Challenges and Advances in Computational Chemistry and Physics - Advances in QSAR Modeling ◽

10.1007/978-3-319-56850-8_11 ◽

2017 ◽

pp. 425-451

Author(s):

Ester Papa ◽

Jon A. Arnot ◽

Alessandro Sangion ◽

Paola Gramatica

Keyword(s):

In Silico

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Towards the Revival of Interpretable QSAR Models

Challenges and Advances in Computational Chemistry and Physics - Advances in QSAR Modeling ◽

10.1007/978-3-319-56850-8_1 ◽

2017 ◽

pp. 3-55 ◽

Cited By ~ 4

Author(s):

Watshara Shoombuatong ◽

Philip Prathipati ◽

Wiwat Owasirikul ◽

Apilak Worachartcheewan ◽

Saw Simeon ◽

...

Keyword(s):

Qsar Models

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Counter-Propagation Artificial Neural Network Models for Prediction of Carcinogenicity of Non-congeneric Chemicals for Regulatory Uses

Challenges and Advances in Computational Chemistry and Physics - Advances in QSAR Modeling ◽

10.1007/978-3-319-56850-8_14 ◽

2017 ◽

pp. 503-527

Author(s):

N. Fjodorova ◽

M. Novic ◽

S. Zuperl ◽

K. Venko

Keyword(s):

Neural Network ◽

Artificial Neural Network ◽

Network Models ◽

Neural Network Models ◽

Artificial Neural ◽

Artificial Neural Network Models

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Development of Monte Carlo Approaches in Support of Environmental Research

Challenges and Advances in Computational Chemistry and Physics - Advances in QSAR Modeling ◽

10.1007/978-3-319-56850-8_12 ◽

2017 ◽

pp. 453-469

Author(s):

Alla P. Toropova ◽

Andrey A. Toropov ◽

Emilio Benfenati ◽

Robert Rallo ◽

Danuta Leszczynska ◽

...

Keyword(s):

Monte Carlo ◽

Environmental Research

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Which Performance Parameters Are Best Suited to Assess the Predictive Ability of Models?

Challenges and Advances in Computational Chemistry and Physics - Advances in QSAR Modeling ◽

10.1007/978-3-319-56850-8_3 ◽

2017 ◽

pp. 89-104 ◽

Cited By ~ 4

Author(s):

Károly Héberger ◽

Anita Rácz ◽

Dávid Bajusz

Keyword(s):

Predictive Ability ◽

Performance Parameters

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Strategy for Identification of Nanomaterials’ Critical Properties Linked to Biological Impacts: Interlinking of Experimental and Computational Approaches

Challenges and Advances in Computational Chemistry and Physics - Advances in QSAR Modeling ◽

10.1007/978-3-319-56850-8_10 ◽

2017 ◽

pp. 385-424 ◽

Cited By ~ 3

Author(s):

Iseult Lynch ◽

Antreas Afantitis ◽

Georgios Leonis ◽

Georgia Melagraki ◽

Eugenia Valsami-Jones

Keyword(s):

Critical Properties ◽

Computational Approaches ◽

Biological Impacts

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The Use of Topological Indices in QSAR and QSPR Modeling

Challenges and Advances in Computational Chemistry and Physics - Advances in QSAR Modeling ◽

10.1007/978-3-319-56850-8_2 ◽

2017 ◽

pp. 57-88 ◽

Cited By ~ 9

Author(s):

John C. Dearden

Keyword(s):

Topological Indices ◽

Qspr Modeling

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Structural, Physicochemical and Stereochemical Interpretation of QSAR Models Based on Simplex Representation of Molecular Structure

Challenges and Advances in Computational Chemistry and Physics - Advances in QSAR Modeling ◽

10.1007/978-3-319-56850-8_4 ◽

2017 ◽

pp. 107-147 ◽

Cited By ~ 1

Author(s):

P. Polishchuk ◽

E. Mokshyna ◽

A. Kosinskaya ◽

A. Muats ◽

M. Kulinsky ◽

...

Keyword(s):

Molecular Structure ◽

Qsar Models

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Environmental Toxicity of Pesticides, and Its Modeling by QSAR Approaches

Challenges and Advances in Computational Chemistry and Physics - Advances in QSAR Modeling ◽

10.1007/978-3-319-56850-8_13 ◽

2017 ◽

pp. 471-501 ◽

Cited By ~ 2

Author(s):

Mabrouk Hamadache ◽

Abdeltif Amrane ◽

Othmane Benkortbi ◽

Salah Hanini ◽

Latifa Khaouane ◽

...

Keyword(s):

Environmental Toxicity

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On Applications of QSARs in Food and Agricultural Sciences: History and Critical Review of Recent Developments

Challenges and Advances in Computational Chemistry and Physics - Advances in QSAR Modeling ◽

10.1007/978-3-319-56850-8_7 ◽

2017 ◽

pp. 203-302 ◽

Cited By ~ 5

Author(s):

Supratik Kar ◽

Kunal Roy ◽

Jerzy Leszczynski

Keyword(s):

Critical Review ◽

Agricultural Sciences ◽

Recent Developments

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Challenges and Advances in Computational Chemistry and Physics - Advances in QSAR ModelingLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer International Publishing

In Silico Approaches for the Prediction of In Vivo Biotransformation Rates

Towards the Revival of Interpretable QSAR Models

Counter-Propagation Artificial Neural Network Models for Prediction of Carcinogenicity of Non-congeneric Chemicals for Regulatory Uses

Development of Monte Carlo Approaches in Support of Environmental Research

Which Performance Parameters Are Best Suited to Assess the Predictive Ability of Models?

Strategy for Identification of Nanomaterials’ Critical Properties Linked to Biological Impacts: Interlinking of Experimental and Computational Approaches

The Use of Topological Indices in QSAR and QSPR Modeling

Structural, Physicochemical and Stereochemical Interpretation of QSAR Models Based on Simplex Representation of Molecular Structure

Environmental Toxicity of Pesticides, and Its Modeling by QSAR Approaches

On Applications of QSARs in Food and Agricultural Sciences: History and Critical Review of Recent Developments

Challenges and Advances in Computational Chemistry and Physics - Advances in QSAR Modeling
Latest Publications