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ahmedn12/README.md

Hi, I'm Nadia 👋

Pharmaceutical Data Scientist | LC-MS/MS · PBPK · CMC Analytics

I'm an analytical scientist with a PhD in Pharmaceutical Engineering and 5+ years of experience in bioanalytical method development, quantitative proteomics, and pharmacokinetic modeling. I build data science tools in Python and R for drug discovery and regulatory science.


🔬 What I Work On

  • CMC analytical data science — stability modeling, method validation, DOE
  • Mass spectrometry — LC-MS/MS pipelines, proteomics, oligonucleotide characterization
  • PBPK / pharmacometrics — mechanistic PK modeling, special populations, dissolution
  • Regulatory science — FDA/EMA submissions, bioequivalence, IVIVC, special populations

🛠️ Skills

Languages Python R

Data Science Pandas NumPy scikit-learn Plotly ggplot2

Mass Spectrometry LC-MS/MS Orbitrap Fusion Lumos Q Exactive HF-X SCIEX Triple Quad 6500+ Proteome Discoverer Skyline MassLynx XCalibur

Pharma / Regulatory FDA BMV 2018 ICH Q1A/Q1E ICH M10 GMP/GLP OSP PK-Sim v12 OSP MoBi v12 PBPK modeling GastroPlus


📁 CMC & Analytical Projects

Project Field Tools
CMC Stability Analyzer ICH Q1E shelf-life prediction Python · scipy · plotly
Method Validation Dashboard Bioanalytical · FDA BMV 2018 Python · scikit-learn · plotly
Proteomics LC-MS Pipeline Quantitative proteomics · DIA Python · seaborn · statsmodels
PK Simulator NCA · compartmental PK Python · scipy · plotly

🧬 OSP PK-Sim / MoBi PBPK Portfolio

Complete implementation of the OSP PK-Sim v12 and MoBi v11/12 course exercises in Python and R.

Core PBPK Models

Project Key concept Tools
Full PBPK Model Whole-body PBPK · IVIVE · Rodgers & Rowland Python · R · deSolve
Oral PBPK Model GI absorption · first-pass · oral PK Python · R
Bayesian PBPK / MCMC Parameter uncertainty · population Bayes Python · R
Cancer Risk + Reverse Dosimetry Reverse dosimetry · risk assessment Python · R
Nanoparticle PBPK (QD705) Nanoparticle distribution · MPS Python · R

Drug-Drug Interactions & Special Populations

Project Key concept Tools
DDI Itraconazole + Midazolam CYP3A4 competitive inhibition · AUC ratio Python · R
Oral Administration & Populations GI model · CYP3A5 polymorphism · ethnic variability Python · R
Renal Impairment PBPK CKD staging · GFR scaling · dose adjustment Python · R
Hepatic Impairment PBPK Child-Pugh · CYP3A4 · portal shunting Python · R
Dapagliflozin Species Scaling Rat → human translation · CYP2C8 Python · R
Morphine Pediatric Scaling Ontogeny · pediatric dose prediction Python · R

Large Molecule & Advanced PBPK

Project Key concept Tools
Large Molecule PBPK & TMDD ADC · FcRn · target-mediated drug disposition Python · R
Adding an Organ: Tumor EPR effect · cloned muscle · tumor distribution Python · R
QSP: Tumor Growth Inhibition Simeoni TGI · Gompertz · dynamic tumor volume Python · R
Maternal-Fetal PBPK Pregnancy physiology · fetal exposure · Dallmann 2018 Python · R
Lysosomal Trapping PBPK Henderson-Hasselbalch · intracellular pH partitioning Python · R

MoBi: Spatial & Custom Models

Project Key concept Tools
MoBi Two-Container Model Spatial compartments · neighborhoods · transport Python · R
MoBi Observers AUC · Kp · mass balance · reaction flux observers Python · R
MoBi Formula Types Explicit · Sum · Conditional · circadian clearance Python · R

Biopharmaceutics & Absorption

Project Key concept Tools
Particle Dissolution PBPK Noyes-Whitney · PSD fitting · biorelevant media Python · R
IVIVC — Metoprolol MR Level A · Wagner-Nelson · FDA validation · Eddington 1998 Python · R
Dermal Caffeine PBPK Skin layers · hair follicle shunt · EPR Python · R

📄 Selected Publications

  • Ahmed NT et al. Neutrophil elastase targets select proteins on human blood monocyte-derived macrophage cell surfaces. Int J Mol Sci. 2024;25(23):13038. DOI
  • Islam MR, Ahmed NT et al. Decoding Oligonucleotide Stereochemistry. Analytical Chemistry (submitted)
  • Ayubee MS, Ahmed NT et al. Synergistic antibacterial action of AgNP-ampicillin conjugates. PLoS One 2025. DOI

🎓 Education & Training

  • PhD Pharmaceutical Engineering — Virginia Commonwealth University (2024)
  • MS Pharmaceutical Nanotechnology — University of South Florida (2020)
  • MPharm Pharmaceutical Chemistry — University of Dhaka (2019)
  • OSP PK-Sim / MoBi Course (v12) — Completed all exercises
  • FDA PBPK Modeling Workshop (2024, Dr. Raymond Yang)
  • FDA Bioanalytical Method Validation Training

📬 Connect

LinkedIn Website ORCID Email


Pharmaceutical data scientist at the intersection of analytical chemistry, mass spectrometry, and regulatory PBPK modeling.

Popular repositories Loading

  1. HGEN-612-Project-Nadia HGEN-612-Project-Nadia Public

  2. personal-website personal-website Public

    Forked from cristianrcv/personal-website

    Personal Website

    HTML

  3. cmc-stability-analyzer cmc-stability-analyzer Public

    ICH Q1E shelf-life prediction from accelerated stability data · Python · pandas · scipy · plotly

    HTML

  4. method-validation-dashboard method-validation-dashboard Public

    HTML

  5. proteomics-lcms-pipeline proteomics-lcms-pipeline Public

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  6. pk-simulator pk-simulator Public

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