
# smiles-transformers dataset

  TODO: Add references to the datasets we curated

## dataset features

  - name: text
    - Molecule SMILES : string
  - name: formula
    - Molecular formula : string
  - name: NumHDonors
    - Number of hidrogen bond donors : int
  - name: NumHAcceptors
    - Number of hidrogen bond acceptors : int
  - name: MolLogP
    - Wildman-Crippen LogP : float
  - name: NumHeteroatoms
    - Number of hetero atoms: int
  - name: RingCount
    - Number of rings : int
  - name: NumRotatableBonds
    - Number of rotable bonds : int
  - name: NumAromaticBonds
    - Number of aromatic bonds : int
  - name: NumAcidGroups
    - Number of acid groups : int
  - name: NumBasicGroups
    - Number of basic groups : int
  - name: Apol

## citation information
size_categories:100M<n<1B language:en license:mit region:us
{"language": ["en"], "license": "mit", "size_categories": ["100M<n<1B"], "pretty_name": "smiles-transformer-dataset", "dataset_info": {"features": [{"name": "text", "dtype": "string"}, {"name": "formula", "dtype": "string"}, {"name": "NumHDonors", "dtype": "int64"}, {"name": "NumHAcceptors", "dtype": "int64"}, {"name": "MolLogP", "dtype": "float64"}, {"name": "NumHeteroatoms", "dtype": "int64"}, {"name": "RingCount", "dtype": "int64"}, {"name": "NumRotatableBonds", "dtype": "int64"}, {"name": "NumAromaticBonds", "dtype": "int64"}, {"name": "NumAcidGroups", "dtype": "int64"}, {"name": "NumBasicGroups", "dtype": "int64"}, {"name": "Apol", "dtype": "float64"}], "splits": [{"name": "train", "num_bytes": 136431671689, "num_examples": 908086717}, {"name": "test", "num_bytes": 7437928022, "num_examples": 50487919}, {"name": "validation", "num_bytes": 7621324737, "num_examples": 50605067}], "download_size": 34998665406, "dataset_size": 151490924448}}
TAGS
#size_categories-100M<n<1B #language-English #license-mit #region-us 


# smiles-transformers dataset

  TODO: Add references to the datasets we curated

## dataset features

  - name: text
    - Molecule SMILES : string
  - name: formula
    - Molecular formula : string
  - name: NumHDonors
    - Number of hidrogen bond donors : int
  - name: NumHAcceptors
    - Number of hidrogen bond acceptors : int
  - name: MolLogP
    - Wildman-Crippen LogP : float
  - name: NumHeteroatoms
    - Number of hetero atoms: int
  - name: RingCount
    - Number of rings : int
  - name: NumRotatableBonds
    - Number of rotable bonds : int
  - name: NumAromaticBonds
    - Number of aromatic bonds : int
  - name: NumAcidGroups
    - Number of acid groups : int
  - name: NumBasicGroups
    - Number of basic groups : int
  - name: Apol

## citation information
# smiles-transformers dataset

  TODO: Add references to the datasets we curated ## dataset features

  - name: text
    - Molecule SMILES : string
  - name: formula
    - Molecular formula : string
  - name: NumHDonors
    - Number of hidrogen bond donors : int
  - name: NumHAcceptors
    - Number of hidrogen bond acceptors : int
  - name: MolLogP
    - Wildman-Crippen LogP : float
  - name: NumHeteroatoms
    - Number of hetero atoms: int
  - name: RingCount
    - Number of rings : int
  - name: NumRotatableBonds
    - Number of rotable bonds : int
  - name: NumAromaticBonds
    - Number of aromatic bonds : int
  - name: NumAcidGroups
    - Number of acid groups : int
  - name: NumBasicGroups
    - Number of basic groups : int
  - name: Apol ## citation information
TAGS
#size_categories-100M<n<1B #language-English #license-mit #region-us 
 # smiles-transformers dataset

  TODO: Add references to the datasets we curated ## dataset features

  - name: text
    - Molecule SMILES : string
  - name: formula
    - Molecular formula : string
  - name: NumHDonors
    - Number of hidrogen bond donors : int
  - name: NumHAcceptors
    - Number of hidrogen bond acceptors : int
  - name: MolLogP
    - Wildman-Crippen LogP : float
  - name: NumHeteroatoms
    - Number of hetero atoms: int
  - name: RingCount
    - Number of rings : int
  - name: NumRotatableBonds
    - Number of rotable bonds : int
  - name: NumAromaticBonds
    - Number of aromatic bonds : int
  - name: NumAcidGroups
    - Number of acid groups : int
  - name: NumBasicGroups
    - Number of basic groups : int
  - name: Apol ## citation information