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
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Protein Design Competition
Free clinical calculators and medical reference tools for healthcare professionals. 100+ evidence-based tools including eGFR, BMI, A1C, MELD, CHA₂DS₂-VASc, and more.
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)
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.
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Structural bioinformatics analysis of the EGFR T790M drug-resistance mutation using BioPython, protein structure analysis, ligand interaction mapping, and mutation characterization.
AI-assisted structure-based drug discovery workflow for EGFR T790M resistance mutation using molecular docking, interaction analysis, and lead prioritization.
Retrospective EGFR CADD and QSAR workflow over ChEMBL activity records with scaffold-aware validation and model-risk reporting.
Computational drug discovery pipeline for EGFR-targeted therapeutics using docking, molecular dynamics, and protein–ligand interaction analysis.
Open-source renal function calculator (eGFR, CCr, BSA, CKD staging) for Japanese clinical reference formulas — React Native (iOS/Android)
GraphEGFR source codes and datasets
Curated cheminformatics analysis of mutant-selective and covalent EGFR inhibitors using ChEMBL bioactivity data, RDKit descriptors, mutation-context labelling, warhead annotation and scaffold analysis.
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