Repurposing FDA approved drugs as possible anti-SARS-CoV-2 medications using ligand-based computational approaches: sum of ranking difference-based model selection

Prediction reliability of QSAR models: an overview of various validation tools

(2022) Priyanka De et al.   ARCHIVES OF TOXICOLOGY

Races of small molecule clinical trials for the treatment of COVID‐19: An up‐to‐date comprehensive review

(2021) Suwen Hu et al.   DRUG DEVELOPMENT RESEARCH

A novel quantitative read-across tool designed purposefully to fill the existing gaps in nanosafety data

(2021) Mainak Chatterjee et al.   Environmental Science-Nano

The advantages of the Matthews correlation coefficient (MCC) over F1 score and accuracy in binary classification evaluation

(2020) Davide Chicco et al.   BMC GENOMICS

COVID-19—New Insights on a Rapidly Changing Epidemic

(2020) Carlos del Rio et al.   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

Identification of antiviral drug candidates against SARS-CoV-2 from FDA-approved drugs

(2020) Sangeun Jeon et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

In silico modeling for quick prediction of inhibitory activity against 3CLpro enzyme in SARS CoV diseases

(2020) Priyanka De et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Renovation as innovation: is repurposing the future of drug discovery research?

(2018) Arthur Neuberger et al.   DRUG DISCOVERY TODAY

Is it possible to improve the quality of predictions from an “intelligent” use of multiple QSAR/QSPR/QSTR models?

(2018) Kunal Roy et al.   JOURNAL OF CHEMOMETRICS

Be aware of error measures. Further studies on validation of predictive QSAR models

(2016) Kunal Roy et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Overcoming Drug Development Bottlenecks With Repurposing: Old drugs learn new tricks

(2014) Stephen M Strittmatter   NATURE MEDICINE

On Various Metrics Used for Validation of Predictive QSAR Models with Applications in Virtual Screening and Focused Library Design

(2011) Kunal Roy et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Fragment-based QSAR model toward the selection of versatile anti-sarcoma leads

(2011) Alejandro Speck-Planche et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Linear Discrimination, Ordination, and the Visualization of Selection Gradients in Modern Morphometrics

(2011) Philipp Mitteroecker et al.   Evolutionary Biology

Sum of ranking differences for method discrimination and its validation: comparison of ranks with random numbers

(2010) Károly Héberger et al.   JOURNAL OF CHEMOMETRICS

Multi-target spectral moments for QSAR and Complex Networks study of antibacterial drugs

(2009) Francisco J. Prado-Prado et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

A simple and fast algorithm for K-medoids clustering

(2008) Hae-Sang Park et al.   EXPERT SYSTEMS WITH APPLICATIONS