dingyan20 / BBB-Penetration-Prediction
The repository contains the data and the codes for the manuscript "Relational graph convolutional networks for predicting blood-brain barrier penetration of drug molecules".
☆12Updated 2 years ago
Related projects ⓘ
Alternatives and complementary repositories for BBB-Penetration-Prediction
- This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…☆27Updated 3 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆25Updated 2 years ago
- ☆16Updated 3 years ago
- a method for CPI and DTA prediction☆9Updated 2 years ago
- ☆14Updated 4 years ago
- ☆31Updated 5 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆29Updated last year
- K-BERT for molecular property prediction.☆27Updated 2 years ago
- ☆14Updated 2 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆30Updated 2 years ago
- Methods of druglikeness prediction☆14Updated 2 years ago
- ☆11Updated 3 years ago
- ☆12Updated 3 years ago
- ☆21Updated 3 weeks ago
- The code for SAG-DTA: Prediction of Drug–Target Affinity Using Self-Attention Graph Network.☆11Updated 2 years ago
- ☆11Updated 2 years ago
- DeepCDA☆12Updated 4 years ago
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆39Updated 3 years ago
- ☆42Updated last year
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆25Updated 6 months ago
- A multi-model framework for blood-brain barrier permeability discovery☆14Updated 2 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆31Updated 6 months ago
- ☆24Updated 8 months ago
- ☆21Updated 2 years ago
- ☆19Updated last year
- ☆11Updated 6 months ago
- ☆49Updated 3 months ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated last year
- ☆44Updated 9 months ago
- Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2☆16Updated last year