Data Mining and Machine Learning Models for Predicting Drug Likeness and Their Disease or Organ Category.

ABSTRACT: Data mining approaches can uncover underlying patterns in chemical and pharmacological property space decisive for drug discovery and development. Two of the most common approaches are visualization and machine learning methods. Visualization methods use dimensionality reduction techniques in order to reduce multi-dimension data into 2D or 3D representations with a minimal loss of information. Machine learning attempts to find correlations between specific activities or classifications for a set of compounds and their features by means of recurring mathematical models. Both models take advantage of the different and deep relationships that can exist between features of compounds, and helpfully provide classification of compounds based on such features or in case of visualization methods un

SUBMITTER: Yosipof A 

PROVIDER: S-EPMC5954128 | biostudies-literature | 2018

REPOSITORIES: biostudies-literature