Invited Talks

6. “Open Access In Silico Tools and Standalone Software to Predict the ADMET Profiling of New Drug Candidates” in Faculty Development Programme (FDP) on "Adoption of virtual reality technologies for drug discovery: the centerpiece of academic and industry labs" at KIET School of Pharmacy, KIET Group of Institutions, Ghaziabad, India, July 30, 2021.

5. “Protein Reliability Analysis and In Silico Modeling of Natural Inhibitors for SARS-CoV-2 Main Protease (M pro ): A Probable Solution for COVID-19” at Brainware University, Kolkata, India, June 11, 2020.

4. “Can Ligand- and Structure-based Modeling Predict Single and Mixture Toxicity of Per- AND Polyfluroalyls?” at Computational Chemistry/Computational Modeling Meeting at U.S. Army ERDC, Vicksburg, MS 39180, USA.

3. "Exploring Ligand and Structure Based Modeling for Endocrine-Disrupting Response Prediction of Per-and Polyfluoroalkyl Substances" at Fourteenth International Symposium on Recent Advances in Environmental Health Research, 10th-13th September, 2017 at Jackson, MS, USA.

2. "Design of Power Conversion Efficient Solar Cells: A Perspective on How QSPR Approach Can Be Combined with Other Computational Approaches" at Advanced Materials for Transformative Changes to the Defense, Aerospace, and Civil Environments, November 15th-17th, 2016, University of Mississippi, Oxford, Mississippi, USA.

1. "Predictive QSPR Model Leading to Virtual Screening of Fullerene Derivatives: Exploring Structural Features decisive for Photoconversion Efficiency of Polymer Solar Cell Acceptors" at 16th Southern School on Computational Chemistry and Materials Science Conference, July 28th-29th, 2016, Jackson State University, Jackson, Mississippi, USA.

Oral Presentation

7. “Investigating ligand and structure-based modeling followed by mixture toxicity prediction of per-and polyfluoroalkyl substances: A virtual screening approach” (CINF-104) at ACS 255th National Meeting, 18th-22nd March, 2018, New Orleans, LA.

6. “Integrated In Silico Approaches to Design Power Conversion Efficient Solar Cells: Renewable Energy for Future” (CINF-147) at ACS 254th National Meeting, 20th-24th August, 2017, Washington DC.

5. “First Report on Interspecies Quantitative Correlation of Ecotoxicity of Pharmaceuticals” at International Conference On Perspectives In Chemometrics, 9th-11th April 2011, SRM University, Chennai, India.

4. “Exploring QSAR of Toxicity of diverse aromatic Aldehydes to Tetrahymena Pyriformis using Lipophilicity and Quantum chemical parameters” at International conference on Open Source for Computer Aided Drug Discovery, March 22nd-26th, 2009, IMTECH, Chandigarh, India.

3. “Prediction of hERG potassium channel blocking actions using combination of classification and regression based models: A mixed descriptors approach” at National seminar on “Emerging Novel Approaches of Pharmaceutical Science in Recent era” February 14th, 2013 organized by GRY INSTITUTE OF PHARMACY Vidya Vihar, Borawan (Khargone), MP.

2. “First report on development of quantitative interspecies correlation models and exploring discriminatory features for rodent carcinogenicity of diverse organic chemicals using OECD guidelines” Proceedings of the “Acharya Prafulla Chandar Ray Memorial Symposium, 02-03 August, 2011, Kolkata, India.

1. “Development and validation of a robust QSAR model for prediction of carcinogenicity of drugs” at PHARMACON-2010, Eastern Regional Conference of Indian Pharmacological Society, 9th & 10th April 2010, Birla Institute of Technology, Mesra, Ranchi, Jharkhand, India.

Poster Presentation

10. "Designing of Power Conversion Efficient Solar Cells: Integrated In Silico Approaches for Renewable Energy of Future" at 25th CCTCC on 10th-11th November, 2017 at Jackson, MS, USA.

9. "Advancement of In Silico Approaches to Design Future Solar Cells" 17th Southern School on Computational Chemistry and Materials Science Conference, July 27th-28th, 2017, Jackson State University, Jackson, Mississippi, USA.

8. "Molecular docking combined with classification-and regression-based QSTR models of the endocrine-disrupting activity of poly- and perfluoroalkyl substances" at 24th CCTCC on 11th-12th November, 2016 at Jackson, MS, USA.

7. “Predictive QSPR model leading to virtual screening of fullerene derivatives to evaluate key structural attributes critical for photoconversion efficiency as polymer solar cell acceptors” (COMP 306) at ACS 252nd National Meeting, 21st-25th August, 2016, Philadelphia, PA, USA.

6. " Comprehensive study on the geometry optimization of steroid sulfatase inhibitors with amalgamation of the docking study to check the binding energy with STS" 16th Southern School on Computational Chemistry and Materials Science Conference, July 28th-29th, 2016, Jackson State University, Jackson, Mississippi, USA.

5. ‘Exploring structural attributes through predictive QSPR model of diverse fullerene (C60 and C70) derivatives to predict the power conversion efficiency (PCE) as polymer solar cell acceptors’ at 23rd CCTCC on 13th-14th November, 2015 at Jackson, MS, USA.

4. “Linking various modes of cytotoxicity by novel nano-QTTR models that simultaneously predict and elucidate cytotoxicity of metal oxide nanoparticles in Escherichia coli and human keratinocyte cell line (HaCaT)” at 15th Southern School on Computational Chemistry and Materials Science Conference, July 23rd-24th, 2015, Jackson State University, Jackson, Mississippi, USA.

3. “Development of classification and regression based QSAR models to predict rodent carcinogenic potency using Oral Slope Factor” at International conference on Open Source for Translational Medicine, March 22nd-25th, 2012, IMTECH, Chandigarh, India.

2. “Development of classification and regression based QSTR models to predict rodent carcinogenic potency using oral slope factor (OSF)” at National seminar on “Research and development in drugs and pharmaceuticals: An industrial perspective” on February 23rd-24th, 2013 organized by Department of Pharmaceutical Technology, Jadavpur University.

1. “QSAR Modeling of Toxicity of diverse chemicals to Daphnia magna using 2D and 3D descriptors” at Technobia, 2009- National Confernce on Stem cell Research, computational biology and chemistry, BionteQ-Bioscience Pvt. Ltd., Chennai, India. (Awarded 1st prize)