On the Misleading Use of QF32 for QSAR Model Comparison-Reference-Cited by-同舟云学术

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On the Misleading Use of QF32 for QSAR Model Comparison

Published:2018-08-24 Issue:1-2 Volume:38 Page:1800029
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Consonni Viviana¹^ORCID,Todeschini Roberto¹,Ballabio Davide¹,Grisoni Francesca¹

Affiliation:

1. University of Milano-Bicocca; Dept. of Earth and Environmental Sciences; piazza della Scienza 1 20126 Milano Italy

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/minf.201800029/fullpdf

Reference25 articles.

1. External Validation and Prediction Employing the Predictive Squared Correlation Coefficient — Test Set Activity Mean vs Training Set Activity Mean

2. Comments on the Definition of the Q2 Parameter for QSAR Validation

3. Evaluation of model predictive ability by external validation techniques

4. Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient

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1. Cheminformatics approaches to predict the bioactivity and to discover the pharmacophoric traits crucial to block NF-κB;Chemical Physics Impact;2024-12

2. QSAR and docking based lead optimization of nitrogen heterocycles for enhanced prostaglandin EP2 receptor agonistic potency;Chemical Physics Impact;2024-06

3. Application of in-silico drug discovery techniques to discover a novel hit for target-specific inhibition of SARS-CoV-2 Mpro’s revealed allosteric binding with MAO-B receptor: A theoretical study to find a cure for post-covid neurological disorder;PLOS ONE;2024-01-16

4. Predictionof Environmental FateandToxicityofInsecticidesUsing Multi‐Target QSAR Approach;Chemistry & Biodiversity;2023-12-18

5. In-silico studies of 2-aminothiazole derivatives as anticancer agents by QSAR, molecular docking, MD simulation and MM-GBSA approaches;Journal of Biomolecular Structure and Dynamics;2023-10-09

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