Cheminformatics
Representing, analysing and extracting useful information from molecular datasets.
Dr Sahanawaz
Md Sahanawaz, PhD
Chemistry, interpreted through data.
I work at the intersection of chemistry and data science, using molecular information, statistical methods and machine learning to investigate chemical problems.
Research focus
Chemistry × data science
Machine Learning in Chemistry
Developing data-driven approaches for classification, prediction and chemical pattern recognition.
Chemical Sensing & Molecular Recognition
Applying multivariate and machine-learning methods to chemical sensing and analyte discrimination.
Currently exploring
Building data-driven workflows for chemical research
My current independent research focuses on developing and evaluating machine-learning pipelines for problems including chemical property prediction, molecular data analysis and analyte detection.
- Python
- RDKit
- PCA
- LDA
- Random Forest
- Bayesian Methods
- Chemical Data Analysis
Featured research
Machine Learning for Chemical Recognition
During doctoral research at IISER Kolkata, I investigated photochromic molecular receptors and their application to the recognition of biologically relevant analytes—combining spectroscopic responses with multivariate and machine-learning methods.
Read research overview →Selected publications
Selected research
A Smart Photoswitchable Sensor for Differential Detection of Multiple Nucleotides In Two Photoswitchable States using Machine Learning Techniques
Demonstrated a photoswitchable tripodal receptor undergoing reversible cis–trans isomerization with differential binding affinities toward ATP, ADP, GTP, UMP, UTP, CTP, and inorganic phosphates. Differential UV–Vis spectral responses coupled with PCA and LDA enable robust multidimensional discrimination of nucleotides.
View publication →Sequence effects on the thermal cis–trans isomerization of side-chain stearate-containing azobenzene polymers
Synthesized block and random copolymers containing stearic acid and azobenzene side-chains via RAFT polymerization. Revealed how polymer sequence and local microenvironmental polarity modulate transition-state stabilization and isomerization kinetics.
View publication →Teaching
Teaching chemistry with emphasis on understanding.
Lecturer and Head of the Department of Science & Humanities at Sheikhpara ARM Polytechnic, teaching chemistry across multidisciplinary diploma programmes.
- Applied Chemistry
- Applied Chemistry Laboratory
- Fundamental Chemistry
- Medical Laboratory Technology
- Food Processing Technology
- Computer Software Technology
Journey
From molecules to data
- 2016 B.Sc. Chemistry Ramakrishna Mission Vivekananda Centenary College
- 2018 M.Sc. Chemistry IIT Bombay
- CSIR-NET All India Rank 17 Junior Research Fellowship
- 2026 PhD in Chemistry IISER Kolkata
- Present Lecturer & HOD Science & Humanities · Sheikhpara ARM Polytechnic
Beyond chemistry
Human performance through the same scientific lens.
Outside chemistry, I have a strong interest in evidence-based human performance, resistance training and fitness. I am a certified Menno Henselmans Personal Trainer and explore how scientific reasoning applies to training, nutrition and human performance.
More about me →Let's connect
Research. Collaboration. Education.
I am interested in connecting with researchers, institutions, educators and students working in chemistry, cheminformatics and chemical data science.