Drug effect prediction using neural network
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Updated
Sep 14, 2020 - Python
Drug effect prediction using neural network
Gene and Primer Sequence Analysis for SARS-CoV-2, EGFR(Non Small Lung Cancer Cell), Influenza DNAs ### How can I check my Oligo primers to ensure there are no significant primer design issues? - The difference between melting temperatures (Tm) of the primers should be less than 5°C. - The GC content should be between 35-80% or equivalent to the …
LigEGFR: Spatial graph embedding and molecular descriptors assisted bioactivity prediction of ligand molecules for epidermal growth factor receptor on a cell line-based dataset
AI-Driven-Drug-Discovery-for-EGFR-TKI-Resistance-in-NSCLC-Using-Dual-SMILES-Models
ML-powered drug discovery pipeline for EGFR cancer target — ChEMBL data, Morgan fingerprints, Random Forest (92.31% accuracy), AutoDock Vina molecular docking & 3D visualization
Free clinical calculators and medical reference tools for healthcare professionals. 100+ evidence-based tools including eGFR, BMI, A1C, MELD, CHA₂DS₂-VASc, and more.
Structural bioinformatics analysis of the EGFR T790M drug-resistance mutation using BioPython, protein structure analysis, ligand interaction mapping, and mutation characterization.
Protein Design Competition
EGFRIndb
Open-source medical calculator formulas and clinical scoring systems. Reference implementations for eGFR, BMI, MELD, CHA₂DS₂-VASc, A1C, and 100+ more. Used by mdtools.org.
Mechanistic digital twin for Type 2 Diabetes → CKD, modeling renal decline through hyperfiltration dynamics, interpretable parameters, Bayesian inference, and AI.
My first RShiny-WebApp for different laboratory estimations and scores
R package for estimating glomerular filtration rate (eGFR)
Computational docking project of EGFR wildtype and clinically relevant mutants (L858R, T790M, Exon20ins) with first-, second-, and third-generation TKIs. Includes automated data fetching, preprocessing, docking with AutoDock Vina, and statistical analysis of binding affinities.
AI-assisted structure-based drug discovery workflow for EGFR T790M resistance mutation using molecular docking, interaction analysis, and lead prioritization.
Please cite our paper: Bhyravbhatla N*, Alsafwani ZW*, Thapa I, et al. Targeting Oncomucin-driven Immunosuppression Improves the Efficacy of K-rasG12D Inhibition in Pancreatic Cancer. Gastroenterology. Published online May 25, 2026. doi:10.1053/j.gastro.2026.04.041
Computational molecular docking study investigating the interaction of Gefitinib with the EGFR ATP-binding pocket, including binding affinity prediction and structural interaction analysis.
GraphEGFR source codes and datasets
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