SAnDReS a Computational Tool for Statistical Analysis of Docking Results and Development of Scoring Functions.

CONCLUSION: The big data generated during docking lacked an integrated computational tool for statistical analysis of the influence of structural parameters on docking and scoring function performance. Here we describe methods to evaluate docking results using SAnDReS, a computational environment for statistical analysis of docking results and development of scoring functions. We believe that SAnDReS is a computational tool with potential to improve accuracy in docking projects. PMID: 27686428 [PubMed - as supplied by publisher]
Source: Combinatorial Chemistry and High Throughput Screening - Category: Chemistry Authors: Tags: Comb Chem High Throughput Screen Source Type: research