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Research article

First published 2013-3

Comparative analysis of the use of chemoinformatics-based and substructure-based descriptors for quantitative structure-activity relationship (QSAR) modeling

Thashmee Karunaratne, Henrik Boström, Ulf Norinder

Intelligent Data Analysis: An International Journal

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Research article

First published 2004-1

Report of the Workshop on the Validation of QSARs and Other Computational Prediction Models

Andrew P. Worth, Mark T.D. Cronin

Alternatives to Laboratory Animals

Free access

Research article

First published 2021-12

Validating ADME QSAR Models Using Marketed Drugs

Vishal Siramshetty, Jordan Williams, Ðắc-Trung Nguyễn [...]

Journal of Biomolecular Screening

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Research article

First published 2002-04

Modeling of the Anticancer Action for Radical Derivatives of Nitroazoles: Quantitative Structure-Activity Relationship (QSAR) Study

Andrei Khlebnikov, Igor Schepetkin, Byoung Se Kwon

Cancer Biotherapy and Radiopharmaceuticals

Open access

Research article

First published 2013-3

Evaluation of CADASTER QSAR Models for the Aquatic Toxicity of (Benzo)triazoles and Prioritisation by Consensus Prediction

Stefano Cassani, Simona Kovarich, Ester Papa [...]

Alternatives to Laboratory Animals

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Research article

First published 2024-9

AI-based 3D-QSAR model of FDA-approved repurposed drugs for inhibiting sclerostin

Pradeep Kumar Yadalam, Raghavendra Vamsi Anegundi, Ramya Ramadoss [...]

Technology and Health Care

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Research article

First published 2005-10

An Approach to Determining Applicability Domains for QSAR Group Contribution Models: An Analysis of SRC KOWWIN

Nina Nikolova-Jeliazkova, Joanna Jaworska

Alternatives to Laboratory Animals

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Other

First published 1996-11

Environmental Modelling Based on a Structural Fragments Approach

Fredrik Lindgren, Johan Nouwen, Hélène Loonen [...]

Indoor and Built Environment

Free access

Research article

First published 2012-2

ChemModLab: A Web-Based Cheminformatics Modeling Laboratory

Jacqueline M. Hughes-Oliver, Atina D. Brooks, William J. Welch [...]

In Silico Biology

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Research article

First published 1984-4

QSAR—Origins and Present Status: A Historical Perspective

Paul N. Craig

Therapeutic Innovation & Regulatory Science

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