Chemometrics in investigation of small molecule-biomacromolecule interactions: A review

Chemometrics is chemical discipline in which mathematical and statistical methods are coupled with chemical data to extract useful information which cannot be extracted by the use of conventional methods. When experimental techniques are assisted by chemometric methods, very interesting studies will be performed which enable us to obtain valuable information about the system under our study. Chemico-biological interactions are very useful studies which are performed to obtain information about binding of small molecules with biological macromolecules. Recently, these studies have been assisted by chemometric methods to perform advanced studies which can help us to have a deep insight to them. Literature survey showed us that multivariate analysis of the chemico-biological interactions is becoming popular and nowadays, chemometricians are using multivariate chemometric methods for resolving chemico-biological interactions. This article focuses on the works published in the literature to provide a background for those who are interested to work in this field and finally, the results will be discussed and concluded. •Required information to understand the role of chemometrics was collected.•Required information to understand the importance of biological interactions was collected.•A literature survey was performed and suitable works were selected.•The important results of the reported works were summarized and concluded.•Some applications of the biological interactions studies were described.