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Ashwani Kumar

Chandigarh UniversityIN
ORCID0000-0002-8966-3569
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37

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Citations
4,658

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Publications
102

About

Ashwani Kumar is a researcher at Chandigarh University. With over four decades of research experience, he has published more than 100 works in various scientific journals and conferences. His research focus lies in the development of predictive models and molecular descriptors for understanding complex biological systems and materials properties.

Research areas

  • Chemistry
  • Biology
  • Biochemistry
  • Stereochemistry
  • Organic chemistry

Publications (102)

Sorted by most cited.

  1. In silico enhancement of azo dye adsorption affinity for cellulose fibre through mechanistic interpretation under guidance of QSPR models using Monte Carlo method with index of ideality correlation

    SAR and QSAR in Environmental Research1970journal article

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    33 cites

  2. Use of Simplified Molecular Input Line Entry System and molecular graph based descriptors in prediction and design of pancreatic lipase inhibitors

    Future Medicinal Chemistry1970journal article

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    26 cites

  3. Quasi-SMILES as a basis for the development of QSPR models to predict the CO2 capture capacity of deep eutectic solvents using correlation intensity index and consensus modelling

    Fuel2023journal article

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    24 cites

  4. CORAL: Quantitative Structure Retention Relationship (QSRR) of flavors and fragrances compounds studied on the stationary phase methyl silicone OV-101 column in gas chromatography using correlation intensity index and consensus modelling

    Journal of Molecular Structure2022journal article

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    20 cites

  5. Correlation intensity index-index of ideality of correlation: A hyphenated target function for furtherance of MAO-B inhibitory activity assessment

    2023

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    12 cites

  6. CORAL: Predictions of Quality of Rice Based on Retention Index Using a Combination of Correlation Intensity Index and Consensus Modelling

    2023

    View DOI
    3 cites

  7. Synthesis, C-N/N-N bond conformational analysis and evaluation of naphtho[2,3-d][1,2,3]triazole-4,9-dione tethered N-acyl hydrazones as α-amylase inhibitors: Insights from molecular modeling and ADMET analysis

    Journal of Molecular Structure2025journal article

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    0 cites

  8. Synthesis and Evaluation of Aminothiazole Hybrids as Potential Acetylcholinesterase Inhibitors

    Asian Journal of Chemistry2024journal article

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    0 cites

  9. Design, Synthesis and Evaluation of Aminothiazole Derivatives as Potential Anti-Alzheimer’s Candidates

    Future Medicinal Chemistry2024journal article

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    0 cites

  10. Quinoxaline-derived “turn-off” fluorescent sensor for the selective detection of Fe3+: Synthesis, spectroscopic analysis, BSA binding and computational studies

    Journal of Molecular Structure2023journal article

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    0 cites

  11. A comprehensive review on synthesis, biological profile and photophysical studies of heterocyclic compounds derived from 2,3-diamino-1,4-naphthoquinone

    Journal of Molecular Structure2022journal article

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    0 cites

  12. Identifications of good and bad structural fragments of hydrazone/2,5-disubstituted-1,3,4-oxadiazole hybrids with correlation intensity index and consensus modelling using Monte Carlo based QSAR studies, their molecular docking and ADME analysis

    2022

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  13. QSAR Studies on Schiff Bases of Pyrrole-2-Carboxaldehyde for Antimicrobial Activity

    2019

    0 cites

  14. Cytotoxicity of quantum dots: Use of quasiSMILES in development of reliable models with index of ideality of correlation and the consensus modelling

    Journal of Hazardous Materials1970journal article

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  15. Design, synthesis, anticancer and antioxidant activities of amide linked 1,4-disubstituted 1,2,3-triazoles

    Journal of Molecular Structure1970journal article

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    0 cites

  16. Facile synthesis, antimicrobial evaluation and molecular docking studies of pyrazole-imidazole-triazole hybrids

    Journal of Molecular Structure1970journal article

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    0 cites

  17. Construction of pioneering quantitative structure activity relationship screening models for abuse potential of designer drugs using index of ideality of correlation in monte carlo optimization

    Archives of Toxicology1970journal article

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    0 cites

  18. Synthesis and antidiabetic evaluation of benzimidazole-tethered 1,2,3-triazoles

    Archiv der Pharmazie1970journal article

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  19. The index of ideality of correlation: A statistical yardstick for better QSAR modeling of glucokinase activators

    Structural Chemistry1970journal article

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  20. 5-Fluoro-1H-indole-2,3-dione-triazoles- synthesis, biological activity, molecular docking, and DFT study

    Journal of Molecular Structure1970journal article

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  21. A review of antimalarial activity of two or three nitrogen atoms containing heterocyclic compounds

    Medicinal Chemistry Research1970journal article

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  22. CORAL: QSAR models of CB1 cannabinoid receptor inhibitors based on local and global SMILES attributes with the index of ideality of correlation and the correlation contradiction index

    Chemometrics and Intelligent Laboratory Systems1970journal article

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    0 cites

  23. Computational studies on acetylcholinesterase inhibitors: From biochemistry to chemistry

    Mini-Reviews in Medicinal Chemistry1970journal article

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    0 cites

  24. Design, synthesis, antimicrobial evaluation and docking studies of urea-triazole-amide hybrids

    Journal of Molecular Structure1970journal article

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  25. Design, synthesis, antimicrobial evaluation and in silico studies of symmetrical bis (urea-1,2,3-triazole) hybrids

    Research on Chemical Intermediates1970journal article

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  26. Design, synthesis, biological activity, molecular docking and computational studies on novel 1,4-disubstituted-1,2,3-Triazole-Thiosemicarbazone hybrid molecules

    Journal of Molecular Structure1970journal article

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    0 cites

  27. Efficient Microwave-Assisted Synthesis, In Vitro Antimicrobial Evaluation of Furo[3,2-c]pyrones and Furo[3,2-c]coumarins along with Molecular Docking Studies

    ChemistrySelect1970journal article

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  28. Identification of good and bad fragments of tricyclic triazinone analogues as potential PKC-θ inhibitors through SMILES–based QSAR and molecular docking

    Structural Chemistry1970journal article

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    0 cites

  29. In silico exploration of the fingerprints triggering modulation of glutaminyl cyclase inhibition for the treatment of Alzheimer’s disease using SMILES based attributes in Monte Carlo optimization

    Journal of Biomolecular Structure and Dynamics1970journal article

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    0 cites

  30. In-silico identification of fingerprint of pyrazolyl sulfonamide responsible for inhibition of N-myristoyltransferase using Monte Carlo method with index of ideality of correlation

    Journal of Biomolecular Structure and Dynamics1970journal article

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  31. Index of ideality of correlation and correlation contradiction index: a confluent perusal on acetylcholinesterase inhibitors

    Molecular Simulation1970journal article

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  32. Nucleobase sequence based building up of reliable QSAR models with the index of ideality correlation using Monte Carlo method

    Journal of Biomolecular Structure and Dynamics1970journal article

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  33. Pentacoordinated diorganotin(IV) complexes resulting from tridentate (NOO) donor Schiff bases: Synthesis, characterization, in vitro antioxidant, antimicrobial activities, and QSAR studies

    Phosphorus, Sulfur and Silicon and the Related Elements1970journal article

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  34. Quantitative structure toxicity analysis of ionic liquids toward acetylcholinesterase enzyme using novel QSTR models with index of ideality of correlation and correlation contradiction index

    Journal of Molecular Liquids1970journal article

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    0 cites

  35. Synthesis, Antimicrobial Activity, Molecular Docking and DFT Study: Aryl-Carbamic Acid 1-Benzyl-1H-[1,2,3]Triazol-4-ylmethyl Esters

    ChemistrySelect1970journal article

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    0 cites

  36. Synthesis, antimicrobial potency with in silico study of Boc-leucine-1,2,3-triazoles

    Steroids1970journal article

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    0 cites

  37. Synthesis, characterization and biological activities of sulfonamide tagged 1,2,3-triazoles

    Synthetic Communications1970journal article

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    0 cites

  38. Synthesis, characterization, α-glucosidase inhibition and molecular modeling studies of some pyrazoline-1H-1,2,3-triazole hybrids

    Journal of Molecular Structure1970journal article

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    0 cites

  39. Tankyrase inhibitors: emerging and promising therapeutics for cancer treatment

    Medicinal Chemistry Research1970journal article

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  40. Use of Graph Based Descriptors for Determination of Structural Features Causing Modulation of Fructose-1,6-Bisphosphatase

    Drug Research1970journal article

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  41. Design and development of novel focal adhesion kinase (FAK) inhibitors using Monte Carlo method with index of ideality of correlation to validate QSAR

    SAR and QSAR in Environmental Research1970journal article

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  42. Development of prediction model for fructose- 1,6- bisphosphatase inhibitors using the Monte Carlo method

    SAR and QSAR in Environmental Research1970journal article

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    0 cites

  43. Facile Synthesis, Antimicrobial Activity and Molecular Docking of Novel 2,4,5-Trisubstituted-1H-Imidazole–Triazole Hybrid Compounds

    Journal of Heterocyclic Chemistry1970journal article

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    0 cites

  44. In silico design of diacylglycerol acyltransferase-1 (DGAT1) inhibitors based on SMILES descriptors using Monte-Carlo method

    SAR and QSAR in Environmental Research1970journal article

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    0 cites

  45. QSAR Models for Nitrogen Containing Monophosphonate and Bisphosphonate Derivatives as Human Farnesyl Pyrophosphate Synthase Inhibitors Based on Monte Carlo Method

    Drug Research1970journal article

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    0 cites

  46. Synthesis, Biological Activity and QSAR Studies of Organotin(IV) and Organosilicon(IV) Complexes

    ChemistrySelect1970journal article

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    0 cites

  47. Synthesis, antimicrobial evaluation and docking study of triazole containing triaryl-1H-imidazole

    Synthetic Communications1970journal article

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  48. Synthesis, molecular docking and DFT studies on biologically active 1,4-disubstituted-1,2,3-triazole-semicarbazone hybrid molecules

    New Journal of Chemistry1970journal article

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    0 cites

  49. Synthesis, molecular docking and QSAR study of thiazole clubbed pyrazole hybrid as α-amylase inhibitor

    Journal of Biomolecular Structure and Dynamics1970journal article

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    0 cites

  50. 1H-naphtho[1,2-e][1,3]oxazines: Synthesis, nuclear magnetic resonance, antimicrobial and docking study

    Indian Journal of Heterocyclic Chemistry1970journal article

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  51. Consensus QSAR modelling of SIRT1 activators using simplex representation of molecular structure

    SAR and QSAR in Environmental Research1970journal article

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    0 cites

  52. Design, synthesis, characterization, antimicrobial evaluation and molecular modeling studies of some dehydroacetic acid-chalcone-1,2,3-triazole hybrids

    Bioorganic Chemistry1970journal article

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  53. Monte Carlo Method Based QSAR Studies of Mer Kinase Inhibitors in Compliance with OECD Principles

    Drug Research1970journal article

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    0 cites

  54. Oxazolone–1,2,3-triazole hybrids: Design, synthesis and antimicrobial evaluation

    Current Topics in Medicinal Chemistry1970journal article

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  55. QSAR Studies on microbicidal activity of disubstituted 1,2,3-triazoles having ester linkages

    Asian Journal of Chemistry1970journal article

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  56. Synthesis and Antimicrobial Evaluation of (1-(2-(Benzyloxy)-2-oxoethyl)-1H-1,2,3-triazol-4-yl)methyl Benzoate Analogues

    Journal of Heterocyclic Chemistry1970journal article

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  57. Synthesis, characterization, biological activity, and QSAR studies of transition metal complexes derived from piperonylamine Schiff bases

    Chemical Papers1970journal article

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  58. Synthesis, crystal structure and antimicrobial potential of some fluorinated chalcone-1,2,3-triazole conjugates

    European Journal of Medicinal Chemistry1970journal article

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  59. A synthetic approach and molecular docking study of hybrids of quinazolin-4-ones and thiazolidin-4-ones as anticancer agents

    Medicinal Chemistry Research1970journal article

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  60. Efficient synthesis and antimicrobial evaluation of 2-((1-substituted-1H-1,2,3-triazol-4-yl)-1-naphthaldehydes and their oxime derivatives

    Medicinal Chemistry Research1970journal article

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  61. Facile synthesis, characterization, and antimicrobial studies of some disubstituted 1,2,3-triazoles with sulfonamide functionality

    Synthetic Communications1970journal article

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  62. Green synthesis and anticancer potential of chalcone linked-1,2,3-triazoles

    European Journal of Medicinal Chemistry1970journal article

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  63. Monte Carlo method based QSAR modelling of natural lipase inhibitors using hybrid optimal descriptors

    SAR and QSAR in Environmental Research1970journal article

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  64. QSAR Differential Model for Prediction of SIRT1 Modulation using Monte Carlo Method

    Drug Research1970journal article

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  65. Regioselective Synthesis, Antimicrobial Evaluation and QSAR Studies of Some 3-Aryl-1-heteroarylindeno[1,2-c]pyrazol-4(1H)-ones

    Journal of Heterocyclic Chemistry1970journal article

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  66. Regioselective synthesis, characterization and antimicrobial evaluation of amide–ether-linked 1,4-disubstituted 1,2,3-triazoles

    Journal of the Serbian Chemical Society1970journal article

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  67. Synthesis and antimicrobial evaluation of ester-linked 1,4-disubstituted 1,2,3-triazoles with a furyl/thienyl moiety

    Molecular Diversity1970journal article

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  68. Synthesis and antimicrobial evaluation of some 1-(4-arylthiazol--2-yl)-1′-(aryl/heteroaryl)-3,3′-dimethyl-[4,5′-bi-1H-pyrazol]-5-ols

    Journal of the Serbian Chemical Society1970journal article

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  69. Use of the Monte Carlo Method for OECD Principles-Guided QSAR Modeling of SIRT1 Inhibitors

    Archiv der Pharmazie1970journal article

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  70. Convenient synthesis, anticancer evaluation and QSAR studies of some thiazole tethered indenopyrazoles

    Medicinal Chemistry Research1970journal article

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  71. Docking methodologies and recent advances

    Oncology: Breakthroughs in Research and Practice1970book chapter

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  72. How much successful are the medicinal chemists in modulation of SIRT1: A critical review

    European Journal of Medicinal Chemistry1970journal article

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  73. QSAR Studies and Design of Some Tetracyclic 1,4-Benzothiazines as Antimicrobial Agents

    Drug Research1970journal article

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  74. Synthesis and antibacterial studies of 2-aryl-3-alkanamido-4H-thiazolidin-4-one derivatives

    Arabian Journal of Chemistry1970journal article

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  75. Synthesis and antimicrobial evaluation of 1,4-disubstituted 1,2,3-triazoles containing benzofused N-heteroaromatic moieties

    Monatshefte fur Chemie1970journal article

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  76. Synthesis, antibacterial evaluation and QSAR analysis of Schiff base complexes derived from [2,2′-(ethylenedioxy)bis(ethylamine)] and aromatic aldehydes

    MedChemComm1970journal article

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  77. Synthesis, characterization and antimicrobial activity of 4-((1-benzyl/phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzaldehyde analogues

    Medicinal Chemistry Research1970journal article

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  78. Synthesis, characterization, and quantitative structure–activity relationship studies of bioactive dehydroacetic acid and amino ether Schiff base complexes

    Heteroatom Chemistry1970journal article

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  79. Synthesis, spectral, and in vitro antimicrobial studies of organosilicon(IV) complexes with Schiff bases derived from dehydroacetic acid

    Monatshefte fur Chemie1970journal article

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  80. Antimicrobial evaluation, QSAR and docking studies of amide-linked 1,4-disubstituted 1,2,3-bistriazoles

    Medicinal Chemistry Research1970journal article

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  81. Estrogenic and Anti-Alzheimer's studies of Zingiber officinalis as well as Amomum subulatum Roxb.: The success story of dry techniques

    Medicinal Chemistry Research1970journal article

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  82. Studies on mineral profile of postpartum anestrus murrah buffaloes treated with different hormonal protocols

    Indian Veterinary Journal1970journal article

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  83. One-pot synthesis and cytotoxic evaluation of amide-linked 1,4-disubstituted 1,2,3-bistriazoles

    Medicinal Chemistry Research1970journal article

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  84. Synthesis and antibacterial activities of some N-(p-substituted benzylidene)-5-pentyl-1,3,4-thiadiazole-2-amines

    Der Pharma Chemica1970journal article

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  85. Synthesis and biological evaluation of amino acid-linked 1,2,3-bistriazole conjugates as potential antimicrobial agents

    Medicinal Chemistry Research1970journal article

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  86. 2-(3-Aryl-1-phenyl-1H-pyrazol-4-yl) methylene amino) alkanoic acid: Synthesis, anticholinesterase evaluation and molecular modeling studies

    Der Pharmacia Lettre1970journal article

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  87. 3-Aryl-1-phenyl-1H-pyrazole derivatives as new multitarget directed ligands for the treatment of Alzheimer's disease, with acetylcholinesterase and monoamine oxidase inhibitory properties

    EXCLI Journal1970journal article

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  88. Study of binding of pyridoacridine alkaloids on topoisomerase II using in silico tools

    Medicinal Chemistry Research1970journal article

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  89. Synthesis and antibacterial evaluation of some N-(p-substituted benzylidene)-5-butyl-1,3,4-thiadiazole-2-amines

    Der Pharmacia Lettre1970journal article

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  90. Synthesis and evaluation of bioactivity of thiazolo[3,2-b]-[1,2,4]- triazoles and isomeric thiazolo[2,3-c]-[1,2,4]-triazoles

    Journal of Heterocyclic Chemistry1970journal article

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  91. Synthesis, biological evaluation and molecular modeling studies of 3-aryl-1-phenyl-1H-pyrazole derivatives as novel acetylcholinesterase inhibitors

    Der Pharmacia Lettre1970journal article

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  92. Iodobenzene diacetate (IBD) catalyzed an quick oxidative aromatization of Hantzsch-1,4-dihydropyridines to pyridines under ultrasonic irradiation

    Ultrasonics Sonochemistry1970journal article

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  93. Ionotropic glutamate receptor subtype 6: Docking and site moiety map analysis study

    Der Pharma Chemica1970journal article

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  94. Regioselective synthesis and antimicrobial studies of ester linked 1,4-disubstituted 1,2,3-bistriazoles

    Bioorganic and Medicinal Chemistry Letters1970journal article

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  95. Solvent-free one pot synthesis of 2-aryl/heteroarylbenzothiazoles using hypervalent iodine (III) reagents

    Journal of Heterocyclic Chemistry1970journal article

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  96. Synthesis, antimicrobial evaluation, and QSAR analysis of 2-isopropyl-5-methylcyclohexanol derivatives

    Medicinal Chemistry Research1970journal article

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  97. 3-Aryl-2-{4-[4-(2,4-dioxothiazolidin-5-ylmethyl)phenoxy]-phenyl}-acrylic acid alkyl ester: Synthesis and antihyperglycemic evaluation

    Medicinal Chemistry Research1970journal article

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  98. An efficient synthesis of pyrazole chalcones under solvent free conditions at room temperature

    Chinese Chemical Letters1970journal article

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  99. Synthesis, antibacterial evaluation and QSAR studies of 7-[4-(5-aryl-1,3,4-oxadiazole-2-yl)piperazinyl] quinolone derivatives

    European Journal of Medicinal Chemistry1970journal article

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  100. Synthesis, antimicrobial evaluation, QSAR and in silico ADMET studies of decanoic acid derivatives

    Acta Poloniae Pharmaceutica - Drug Research1970journal article

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  101. An expeditious oxidative aromatization of hantzsch 1,4-dihydropyridines to pyridines using cetyltrimethylammonium peroxodisulfate: A phase transferring oxidant

    Bulletin of the Korean Chemical Society1970journal article

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  102. An expeditious synthesis of isoxazoline using cetyltrimethylammonium cerium nitrate: A phase transferring oxidative 1,3-dipolar cycloaddition

    Chinese Chemical Letters1970journal article

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