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
Free clinical calculators and medical reference tools for healthcare professionals. 100+ evidence-based tools including eGFR, BMI, A1C, MELD, CHA₂DS₂-VASc, and more.
AI-Driven-Drug-Discovery-for-EGFR-TKI-Resistance-in-NSCLC-Using-Dual-SMILES-Models
Structural bioinformatics analysis of the EGFR T790M drug-resistance mutation using BioPython, protein structure analysis, ligand interaction mapping, and mutation characterization.
De novo computational design of tumor-selective pH-conditional (pH 6.5 vs 7.4), cross-species EGFR miniprotein binders for the Anthropic × Adaptyv 2026 Challenge.
Mechanistic digital twin for Type 2 Diabetes → CKD, modeling renal decline through hyperfiltration dynamics, interpretable parameters, Bayesian inference, and AI.
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.
R package for estimating glomerular filtration rate (eGFR)
Protein Design Competition
EGFRIndb
임상 검사 수치·약동학 통합 계산 API
My first RShiny-WebApp for different laboratory estimations and scores
R package for transplant reporting: year-over-year cumulative activity plots, Kidney Donor Risk Index (2012 and 2019) and CKD-EPI 2021 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.
Reproducible benchmark of classical molecular graph descriptors against RDKit2D and ECFP4 for EGFR pIC50 prediction under scaffold and chemical-space shift.
Protein design research from the 2026 Anthropic x Adaptyv competition: conditional EGFR binders, final 18 designs, methods, evidence and debugging lessons.
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