Introduction of rm2(rank) metric incorporating rank-order predictions as an additional tool for validation of QSAR/QSPR models-Reference-Cited by-同舟云学术

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Introduction of rm2(rank) metric incorporating rank-order predictions as an additional tool for validation of QSAR/QSPR models

Published:2012-08 Issue: Volume:118 Page:200-210
ISSN:0169-7439
Container-title:Chemometrics and Intelligent Laboratory Systems
language:en
Short-container-title:Chemometrics and Intelligent Laboratory Systems

Author:

Roy Kunal,Mitra Indrani,Ojha Probir Kumar,Kar Supratik,Das Rudra Narayan,Kabir Humayun

Funder

Ministry of Human Resource and Development, Govt. of India

Publisher

Elsevier BV

Subject

Spectroscopy,Process Chemistry and Technology,Computer Science Applications,Software,Analytical Chemistry

Reference31 articles.

1. Computer-aided drug design: the role of quantitative structure–property, structure–activity and structure–metabolism relationships;Buchwald;Drugs Future,2002

2. Current developments of computer-aided drug design;Huang;Journal of Taiwan Institute of Chemistry Engineering,2010

3. QSAR in the pharmaceutical research setting: QSAR models for broad, large problems;Sprous;Current Topics in Medicinal Chemistry,2010

4. The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSPR models;Tropsha;QSAR and Combinatorial Science,2003

5. A review on progress in QSPR studies for surfactants;Hu;International Journal of Molecular Sciences,2010

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3. Data driven toxicity assessment of organic chemicals against Gammarus species using QSAR approach;Chemosphere;2023-07

4. Predictive Quantitative Read-Across Structure–Property Relationship Modeling of the Retention Time (Logt_R) of Pesticide Residues Present in Foods and Vegetables;Journal of Agricultural and Food Chemistry;2023-06-09

5. QSAR and DFT Studies of Some Tacrine-Hydroxamate Derivatives as Inhibitors of Cholinesterase (AChEs) in the Treatment of Alzheimer's Disease;Letters in Drug Design & Discovery;2023-06

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