Reliable Target Prediction of Bioactive Molecules Based on Chemical Similarity Without Employing Statistical Methods.

ABSTRACT: The prediction of biological targets of bioactive molecules from machine-readable materials can be routinely performed by computational target prediction tools (CTPTs). However, the prediction of biological targets of bioactive molecules from non-digital materials (e.g., printed or handwritten documents) has not been possible due to the complex nature of bioactive molecules and impossibility of employing computations. Improving the target prediction accuracy is the most important challenge for computational target prediction. A minimum structure is identified for each group of neighbor molecules in the proposed method. Each group of neighbor molecules represents a distinct structural class of molecules with the same function in relation to the target. The minimum structure is employed as a

SUBMITTER: Forouzesh A 

PROVIDER: S-EPMC6676798 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature