Inspect Figure
Drug Discovery·Completed Research
Explainable QSAR & SHAP Molecular Descriptors
Descriptor-level feature attribution using SHAP values to explain bioactivity drivers in non-linear tree-based QSAR models.
QSARSHAPExplainable MLRDKit
Scientific Project Atlas
Computational Research & Projects
Curated portfolio of academic research investigations, independent computational studies, and bioinformatics coursework across machine learning, transcriptomics, and drug discovery.
Filter Domain:
Inspect Figure
Drug Discovery·Independent Study
AI-Based ADME & Toxicity Prediction Workflow
Machine learning screening workflow predicting molecular safety, toxicity endpoints, and Lipinski rule-of-five compliance.
ADME-ToxDrug SafetyLipinskiToxScreening
Inspect Figure
Omics & ML·Academic Coursework
Brain Tumor Gene-Expression Classifier
Comparative supervised classification workflow evaluating Random Forest, SVM, and CNNs on high-dimensional oncological expression matrices.
Gene ExpressionRandom ForestSVMClassification
Inspect Figure
Metagenomics·Completed Research
Microbiome Diversity & Community Structure
Community profiling pipeline computing alpha and beta diversity metrics (Shannon, Simpson, Bray-Curtis PCoA) for metagenomic datasets.
QIIME2Bray-CurtisPCoAMicrobiome
Inspect Figure
Structural Bioinformatics·Independent Study
Missense SNP Structural & Functional Analysis
3D variant mapping and AlphaFold structural overlay evaluating residue perturbations and conformational stability changes.
AlphaFoldSNP MappingStructural BiologyPyMOL
Inspect Figure
Drug Discovery·Completed Research
Molecular Docking & Target Interaction Mapping
Structure-based docking simulations mapping binding poses, affinities, and intermolecular contacts with therapeutic target pockets.
AutoDock VinaPyRxDockingInteraction Maps
Inspect Figure
Structural Bioinformatics·Academic Coursework
Homology Modeling & Stereochemical Validation
3D homology model construction with multiple sequence alignment and Ramachandran/ERRAT stereochemical validation.
Homology ModelingRamachandranERRATPDB
Inspect Figure
Structural Bioinformatics·Independent Study
RNA Aptamer Secondary Structure & Folding
Thermodynamic folding simulations calculating minimum free energy conformations, base-pairing probabilities, and mountain plots.
ViennaRNARNAfoldSecondary Structure