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---
license: cc-by-4.0
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
dataset_info:
features:
- name: dosed_ingredient
dtype: bool
- name: indication_class
dtype: string
- name: molecule_chembl_id
dtype: string
- name: molecule_type
dtype: string
- name: oral
dtype: bool
- name: pref_name
dtype: string
- name: therapeutic_flag
dtype: bool
- name: usan_stem
dtype: string
- name: usan_stem_definition
dtype: string
- name: usan_year
dtype: float64
- name: withdrawn_flag
dtype: bool
- name: smiles
dtype: string
- name: inchikey
dtype: string
- name: slices
dtype: string
- name: morphing
dtype: string
- name: motif
dtype: string
- name: scaffold
dtype: string
- name: superstructure
dtype: string
splits:
- name: train
num_bytes: 12691
num_examples: 26
download_size: 18556
dataset_size: 12691
---
# SAFE
Sequential Attachment-based Fragment Embedding (SAFE) is a novel molecular line notation that represents molecules as an unordered sequence of fragment blocks to improve molecule design using generative models.
This is the drugs dataset used for benchmarking.
Find the details and how to use at SAFE in the repo https://github.com/datamol-io/safe or the paper https://arxiv.org/pdf/2310.10773.pdf. |