The objective of the task is to build a model so that we can, as optimally as this data allows, relate molecular information, to an actual biological response.
We have shared the data in the comma separated values (CSV) format. Each row in this data set represents a molecule. The first column contains experimental data describing an actual biological response; the molecule was seen to elicit this response (1), or not (0). The remaining columns represent molecular descriptors (D1 through D1776), these are calculated properties that can capture some of the characteristics of the molecule – for example size, shape, or elemental constitution. The descriptor matrix has been normalized.