CADD Vault

Clustering

Initializing search

CADD Vault

Computer-Aided Drug Design (CADD) Vault
Contributing to the CADD Vault
ADMET
ADMET
- Datasets
- Pretrained Models
Benchmark Datasets
Benchmark Datasets
Binding Affinity Prediction
Binding Affinity Prediction
- Reviews
Bioinformatics
Bioinformatics
- Sequence Family Classification
CADD Challenges
CADD Challenges
- CADD Challenges
Chemical Space
Chemical Space
Cheminformatics
Cheminformatics
Clustering
Clustering
- Clustering
Combinatorial Chemistry
Combinatorial Chemistry
- Combinatorial Chemistry
Compound Library Handling
Compound Library Handling
Conformer Generation
Conformer Generation
- Classical
- ML+AI
- Reviews
Crystallography
Crystallography
DSTA cycle management
DSTA cycle management
- DSTA cycle management
Data Management
Data Management
- Comp Chem Data Management
Databases
Databases
Dataset Mining
Dataset Mining
- Chemical
- Protein Structures
De Novo Generation
De Novo Generation
Decoy Generation
Decoy Generation
- Decoy Generation
Design of Experiments
Design of Experiments
- Design of Experiments
Dimensionality reduction
Dimensionality reduction
- Dimensionality reduction
- Reviews
Drug target affinity (DTA) prediction
Drug target affinity (DTA) prediction
- Drug target affinity (DTA) prediction
Drug target interaction (DTI) prediction
Drug target interaction (DTI) prediction
- Drug target interaction (DTI) prediction
FBDD
FBDD
General Tools
General Tools
- Python Libraries
HTS Analysis
HTS Analysis
- HTS Analysis
Intellectual Property
Intellectual Property
- Intellectual Property
Ligand based Virtual Screening
Ligand based Virtual Screening
ML+AI
ML+AI
Molecular Dynamics
Molecular Dynamics
Molecule Representations
Molecule Representations
Optical Structure Recognition
Optical Structure Recognition
- Optical Structure Recognition
Other
Other
- Other
Pharmacophore
Pharmacophore
- Pharmacophore
Plugins
Plugins
- Chimera
- PyMol
Pricing
Pricing
- Pricing
Property Prediction
Property Prediction
Protein Generation
Protein Generation
- Protein Pocket Generation
Protein Structure
Protein Structure
Quantum Chemistry
Quantum Chemistry
Resources
Resources
- Blogs
- Books
- Courses
- Other Resources
- Reviews
Structure based Virtual Screening
Structure based Virtual Screening
Synthesis
Synthesis
Target Identification
Target Identification
- Reviews
- Target identification
VS Workflows
VS Workflows
Visualization Tools
Visualization Tools
Workflow schedulers
Workflow schedulers
- Workflow schedulers

Clustering

BitBIRCH: Efficient clustering of large molecular libraries
Dedenser: Clustering and Downsampling Chemical Libraries

Copyright © 2024 Antoine Lacour – Change cookie settings

Made with Material for MkDocs

Cookie consent

We use cookies to recognize your repeated visits and preferences, as well as to measure the effectiveness of the CADD Vault and whether users find what they're searching for. With your consent, you're helping us to make the CADD Vault better.

Google Analytics
GitHub

Manage settings