Literature DB >> 27485777

External Evaluation of QSAR Models, in Addition to Cross-Validation: Verification of Predictive Capability on Totally New Chemicals.

Paola Gramatica1.   

Abstract

Year:  2014        PMID： 27485777     DOI： 10.1002/minf.201400030

Source DB:  PubMed          Journal:  Mol Inform        ISSN： 1868-1743            Impact factor:   3.353


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  11 in total

1.  Norm index for predicting the rate constants of organic contaminants oxygenated with sulfate radical.

Authors:  Yajuan Shi; Fangyou Yan; Qingzhu Jia; Qiang Wang
Journal:  Environ Sci Pollut Res Int       Date:  2019-12-09       Impact factor: 4.223

2.  A novel approach for assessment of antitrypanosomal activity of sesquiterpene lactones through additive and non-additive molecular structure parameters.

Authors:  Mohammad Hossein Keshavarz; Zeinab Shirazi; Faezeh Sayehvand
Journal:  Mol Divers       Date:  2022-07-17       Impact factor: 3.364

3.  Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches.

Authors:  Ravindra L Bakal; Rahul D Jawarkar; J V Manwar; Minal S Jaiswal; Arabinda Ghosh; Ajaykumar Gandhi; Magdi E A Zaki; Sami Al-Hussain; Abdul Samad; Vijay H Masand; Nobendu Mukerjee; Syed Nasir Abbas Bukhari; Praveen Sharma; Israa Lewaa
Journal:  Saudi Pharm J       Date:  2022-04-07       Impact factor: 4.562

4.  In silico evaluation, molecular docking and QSAR analysis of quinazoline-based EGFR-T790M inhibitors.

Authors:  M Asadollahi-Baboli
Journal:  Mol Divers       Date:  2016-05-21       Impact factor: 2.943

5.  Exploring the Prominent and Concealed Inhibitory Features for Cytoplasmic Isoforms of Hsp90 Using QSAR Analysis.

Authors:  Magdi E A Zaki; Sami A Al-Hussain; Syed Nasir Abbas Bukhari; Vijay H Masand; Mithilesh M Rathore; Sumer D Thakur; Vaishali M Patil
Journal:  Pharmaceuticals (Basel)       Date:  2022-03-01

6.  Intercorrelation Limits in Molecular Descriptor Preselection for QSAR/QSPR.

Authors:  Anita Rácz; Dávid Bajusz; Károly Héberger
Journal:  Mol Inform       Date:  2019-04-04       Impact factor: 3.353

7.  QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CLpro Inhibitor: GA-MLR QSAR modeling supported by molecular Docking, molecular dynamics simulation and MMGBSA calculation approaches.

Authors:  R D Jawarkar; Ravindrakumar L Bakal; Magdi E A Zaki; Sami Al-Hussain; Arabinda Ghosh; Ajaykumar Gandhi; Nobendu Mukerjee; Abdul Samad; Vijay H Masand; Israa Lewaa
Journal:  Arab J Chem       Date:  2021-10-19       Impact factor: 6.212

8.  Perceiving the Concealed and Unreported Pharmacophoric Features of the 5-Hydroxytryptamine Receptor Using Balanced QSAR Analysis.

Authors:  Syed Nasir Abbas Bukhari; Mervat Abdelaziz Elsherif; Kashaf Junaid; Hasan Ejaz; Pravej Alam; Abdul Samad; Rahul D Jawarkar; Vijay H Masand
Journal:  Pharmaceuticals (Basel)       Date:  2022-07-05

9.  Mechanistic Analysis of Chemically Diverse Bromodomain-4 Inhibitors Using Balanced QSAR Analysis and Supported by X-ray Resolved Crystal Structures.

Authors:  Magdi E A Zaki; Sami A Al-Hussain; Aamal A Al-Mutairi; Vijay H Masand; Abdul Samad; Rahul D Jawarkar
Journal:  Pharmaceuticals (Basel)       Date:  2022-06-14

10.  QSAR and Pharmacophore Modeling of Nitrogen Heterocycles as Potent Human N-Myristoyltransferase (Hs-NMT) Inhibitors.

Authors:  Magdi E A Zaki; Sami A Al-Hussain; Vijay H Masand; Siddhartha Akasapu; Israa Lewaa
Journal:  Molecules       Date:  2021-03-24       Impact factor: 4.411
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