gensmis: Table of 372 SMILES with associated QSPRScore

Description Usage Format

Description

A dataset containing 372 generated SMILES with their QSPRScore

Usage

1

Format

A matrix with 372 rows of 2 variables:

SMILES

SMILES, in string of characters

QSPRScore

generation score, in a.u.

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iqspr documentation built on Aug. 1, 2017, 9:02 a.m.