blood-brain-barrier

There are 1 repository under blood-brain-barrier topic.

BioGenies / peptide-prediction-list
Collects software dedicated to predicting specific properties of peptides
awesome-list bioinformatics antimicrobial-peptides anticancer-peptides neuropeptides prediction-model peptide-identification peptides peptide-prediction cell-penetrating-peptides machine-learning deep-learning blood-brain-barrier
Language:Shell 42
frequencykg / BBB_calculator
Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b01220)
drug-discovery medicinal-chemistry blood-brain-barrier drug-design
Language:Python 11
theochem / B3clf
Predictors for Blood-Brain Barrier Permeability with resampling strategies based on B3DB database.
blood-brain-barrier permeability drug-design cns-drug classification imbalanced-learning imbalanced-classification bioinformatics molecular-modeling
Language:Python 7
virtualscreenlab / Sergey-Shityakov
Virtual laboratory for rational drug design and discovery at the blood-brain barrier supervised by Prof. Dr. Sergey Shityakov from Wuerzburg University, Germany
biomedicine blood-brain-barrier chemoinformatics drug-design medicinal-chemistry
Language:Python 6
andresilvapimentel / bbbp-explainer
BBBP Explainer is a code to generate structural alerts of blood-brain barrier penetrating and non-penetrating drugs using Local Interpretable Model-Agnostic Explanations (LIME) of machine learning models from BBBP dataset.
blood-brain-barrier explainable-machine-learning interpretable-machine-learning machine-learning structural-alerts toxicology
Language:Jupyter Notebook 3
ayushnoori / molecule-synthesis
Multi-objective generative AI for designing novel brain-targeting small molecules.
blood-brain-barrier dopamine generative-ai molecular-design small-molecules
Language:Jupyter Notebook 2
preste-ai / Blood-Brain-Barrier
A modelisation of Blood Brain Barrier permeability through active transporters
active-transportation blood-brain-barrier prediction smile
Language:Python 1
GeorgeIniatis / Blood_Brain_Barrier_Drug_Prediction
Individual project for 4th year where models were trained to predict whether a drug can pass through the Blood-Brain Barrier using its chemical properties but also its side effects and indications. Notebooks & Streamlit App Available
classification machine-learning regression university-project uofg blood-brain-barrier
Language:Jupyter Notebook 0
ayushnoori / graph-bbb
Graph molecular learning to predict blood-brain-barrier penetration and CNS drug delivery.
blood-brain-barrier graph-transformer xgboost
Language:Jupyter Notebook

blood-brain-barrier

BioGenies / peptide-prediction-list

frequencykg / BBB_calculator

theochem / B3clf

virtualscreenlab / Sergey-Shityakov

andresilvapimentel / bbbp-explainer

ayushnoori / molecule-synthesis

preste-ai / Blood-Brain-Barrier

GeorgeIniatis / Blood_Brain_Barrier_Drug_Prediction

ayushnoori / graph-bbb