CADD Vault

Representation Learning

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CADD Vault

Computer-Aided Drug Design (CADD) Vault
Contributing to the CADD Vault
ADMET
ADMET
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Binding Affinity Prediction
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Chemical Space
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Combinatorial Chemistry
Combinatorial Chemistry
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Compound Library Handling
Compound Library Handling
Conformer Generation
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Crystallography
Crystallography
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Data Management
Data Management
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Dataset Mining
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De Novo Generation
De Novo Generation
Decoy Generation
Decoy Generation
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FBDD
FBDD
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General Tools
General Tools
HTS Analysis
HTS Analysis
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Ligand based Virtual Screening
Ligand based Virtual Screening
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ML+AI
ML+AI
Molecular Dynamics
Molecular Dynamics
Molecule Representations
Molecule Representations
Optical Structure Recognition
Optical Structure Recognition
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Other
Other
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Pharmacophore
Pharmacophore
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Property Prediction
Property Prediction
Protein Structure
Protein Structure
QM
QM
Resources
Resources
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Structure based Virtual Screening
Structure based Virtual Screening
Synthesis
Synthesis
Target Identification
Target Identification
- Reviews
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VS Workflows
VS Workflows
Visualisation Tools
Visualisation Tools
Workflow schedulers
Workflow schedulers
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Representation Learning

InfoCore: effectively deal with batch effects and obtain refined molecular representations

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