Package Descriptions for Ubuntu

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  1. Series raring
  2. Template “ddtp-ubuntu-universe”
  3. French (fr)
  4. Browsing French translation
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* Chemical reaction handling and transforms
* Substructure searching with SMARTS
* Canonical SMILES
* Molecule-molecule alignment
* Large number of descriptors
* Fragmentation using RECAP rules
* 2D coordinate generation and depiction
* 3D coordinate generation using geometry embedding
* UFF forcefield
* Calculation of (R/S) stereochemistry codes
* Pharmacophore searching
* Calculation of shape similarity
* Atom pairs and topological torsions fingerprints
* Feature maps and feature-maps vectors
* Machine-learning algorithms
* Gasteiger-Marsili partial charge calculation
 
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Located in Package: rdkit-doc Package: rdkit-data Package: python-rdkit Package: librdkit1 Package: librdkit-dev
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