Description

This dataset describes a set of 92 molecules of which 47 are judged by human experts to be musks and the remaining 45 molecules are judged to be non-musks.

Usage

Format

A data frame with 476 observations on the following 167 variables.

Variables 1-162 are "distance features" along rays. The distances are measured in hundredths of Angstroms. The distances may be negative or positive, since they are actually measured relative to an origin placed along each ray. The origin was defined by a "consensus musk" surface that is no longer used. Hence, any experiments with the data should treat these feature values as lying on an arbitrary continuous scale. In particular, the algorithm should not make any use of the zero point or the sign of each feature value.

Variable 163 is the distance of the oxygen atom in the molecule to a designated point in 3-space. This is also called OXY-DIS.

Variable 164 is the X-displacement from the designated point.

Variable 165 is the Y-displacement from the designated point.

Variable 166 is the Z-displacement from the designated point.

Class: 0 for non-musk, and 1 for musk

Source

UCI Machine Learning data repository

Examples