engram_5k

A dataset containing up to order 10 n-grams issued from 5,000 SMILES

datasets

Autonomous generation of novel organic compounds with target physicochemical properties
initially constrained by the user. This package has the ambition to become an unavoidable tool in the innovation of novel
materials and/or drugs with specific target properties.

Guillaume Lambard

iqspr

Inverse Molecular Design

engram_5k function

A ENgram object only suitable for the iqspr<dl class="dl-horizontal">
 ...
</dl>

Format

n-grams model learned from 5,000 SMILES from PubChem — engram_5k

A ENgram object only suitable for the iqspr<dl class='dl-horizontal'>
 ...
</dl>

engram_5k: n-grams model learned from 5,000 SMILES from PubChem

Description

Usage

Arguments

Format