PQSAR: The membrane quantitative structure-activity relationships in cheminformatics
作者:
Highlights:
• PQSAR is a theoretical similarity searching strategy based on membrane computing.
• Ranking sorting P System was adopted to rank probabilities of similarity dataset.
• It then compares them with the similarity threshold.
• The new strategy is termed a PQSAR model.
• It gives better results in time complexity by using the massive parallelism.
摘要
•PQSAR is a theoretical similarity searching strategy based on membrane computing.•Ranking sorting P System was adopted to rank probabilities of similarity dataset.•It then compares them with the similarity threshold.•The new strategy is termed a PQSAR model.•It gives better results in time complexity by using the massive parallelism.
论文关键词:Quantitative structure activity relationships (QSAR),Similarity measurements,Similarity searching strategy,P System,Chemical search space,Drug discovery
论文评审过程:Received 2 November 2014, Revised 27 January 2016, Accepted 28 January 2016, Available online 4 February 2016, Version of Record 21 February 2016.
论文官网地址:https://doi.org/10.1016/j.eswa.2016.01.051