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Chemometric and Molecular Modeling Laboratory

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Group Leader & PI

Dr. Supratik Kar

Current Students

Lu Li

Lu Li, Biology major,  timeline 2024-Present,  Working on two projects titled: "In Silico Modeling of Aquatic Toxicity of Organic Chemicals to Popular and Rare Fish Species" & "Computer-aided drug discovery of Zika Virus". . 3 Q1 draft in preparation. 

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Jonelle Brown

Jonelle Brown, Biology major, timeline 2024-Present,  Working on project titled "Computer-aided drug discovery of Zika Virus". 3 Q1 draft in preparation.

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Melanie Rios

Melanie Rios, Biology major, timeline 2025-Present,  Working on two projects titled: "Antiageing drug discovery through CADD" & "In silico modeling of FAS toxicity". 1 Q1 draft in preparation. 

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Salma Abdallah

Salma Abdallah, Biology major, timeline 2024-Present,  Working on project titled: "Computational Approaches and Current Advances in Zika Virus (ZIKV) Drug and Vaccine Design".  1 Q1 draft in preparation.

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Brayan Martinez

Brayan Martinez, Compuert Scince Master;s student, timeline 2024-Present, worked under 'Full GRA Scholarship program, awrded to me on 2024'.  Working on project titled: "Predicting Placental Transfer of Environmental Chemicals Incorporating QSAR and Q-RASAR Modeling Approaches". 1 Q1 draft in preparation.

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Alumni

Siyun Yang

​Siyun Yang, timeline 2022-2024, enrolled (2024) as a PhD student at Icahn School of Medicine at Mount Sinai, New York City, NY; Research Student of the Year, Kean University, 2024; Published 3 Q1 papers (Nature Scientific Reports, Jounral of Hazardous Materials, Science of the Total Environmenet), 1 Q2 paper (Structaral Chemistry), 2 book chapters in Springer and Elsevier; presented in 5 national & international conferences; Received 1st prize in the Poster presentation at William Patterson University, New Jersey. Worked in two projects: titled "Computer-aided Drug Design Followed by Drug Discovery of Nipah Virus", and "In Silico Modeling of Aquatic Toxicity of Organic Chemicals to Popular and Rare Fish Species".

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Andrea Gallagher

Andrea Gallagher, research timeline 2022-2024, Accepted as a Medical Student at Rutgers Medical School-2025; completed her interview at Cornell Medical School, awaiting their decision; Published 3 Q1 papers (Journal of Hazardous Materials, Chemosphere, Molecules), presented in 4 national conferences. Wroked in two projects: titled “Protein binding affinity as the driver for studying PFAS mixture toxicity” in Collaboration with Purdue University, Indiana; and "In Silico Modeling of Aquatic Toxicity of Organic Chemicals to Popular and Rare Fish Species".

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Daniela Bermeo G
Daniela Bermeo G, research timeline 2023-24, Enrolled as a PhD student (2024) in the Toxicology Program at Rutgers University; Published 1 Q1 (Medicine in Drug Discovery) and 1 Q2 paper (Molecular Diversity). Wroked in two projects: titled “Protein binding affinity as the driver for studying PFAS mixture toxicity” in Collaboration with Purdue University, Indiana

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Mariela Nunez
Mariela Nunez, research timeline 2023-24, Enrolled as a ; Published 1 Q1 (Expert Opinion in Drug Metabolism & Toxicology). Worked in a research project titled "Unraveling Ritlecitinib: an in-depth analysis of JAK3 inhibitor for the treatment of alopecia areata". 

Nermala Sewdat

Nermala Sewdat, research timeline 2023-24, Published 1 Q1 paper and 1 Draft in preparation Q1 (Environmental Science and Pollution Research). Worked in a research project titled "In silico modeling of toxicity of chemicals in E-cigarettes". Currently working as Research & Innovation Technologist at MANE USA

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Kevin Mata

Kevin Mata, research timeline 2023-24, 1 Draft in preparation Q1 (Environmental Science and Pollution Research). Worked in a research project titled "In silico modeling of toxicity of chemicals in E-cigarettes". Currently working as Perfumery Application Laboratory Technician at Agilex, USA. 

Kelly Molinare

Kelly Molinare, research timeline 2024, 1 Draft in preparation Q1 (Journal of Hazardous Materials). Worked in a research project titled "Integrating Molecular Docking, QSAR, q-RASAR Approaches to Predict PFAS Binding in Human Proteins & Bioconcentration". Currently working as Analytical Chemist at Robertson Microlit Laboratories, Inc!

Maria Baqero

Maria Baqero, research timeline 2024-25, 1 Draft in preparation Q1 (Journal of Hazardous Materials). Worked in a research project titled "Integrating Molecular Docking, QSAR, q-RASAR Approaches to Predict PFAS Binding in Human Proteins & Bioconcentration". Currently working as Analytical Chemist at Robertson Microlit Laboratories, Inc!

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