Altoris, Inc. , 7770 Regents Rd #557, San Diego, California 92122, United States.
J Chem Inf Model. 2013 Oct 28;53(10):2774-9. doi: 10.1021/ci400333x. Epub 2013 Oct 7.
The momentum gained by research on biologics has not been met yet with equal thrust on the informatics side. There is a noticeable lack of software for data management that empowers the bench scientists working on the development of biologic therapeutics. SARvision|Biologics is a tool to analyze data associated with biopolymers, including peptides, antibodies, and protein therapeutics programs. The program brings under a single user interface tools to filter, mine, and visualize data as well as those algorithms needed to organize sequences. As part of the data-analysis tools, we introduce two new concepts: mutation cliffs and invariant maps. Invariant maps show the variability of properties when a monomer is maintained constant in a position of the biopolymer. Mutation cliff maps draw attention to pairs of sequences where a single or limited number of point mutations elicit a large change in a property of interest. We illustrate the program and its applications using a peptide data set collected from the literature.
生物制药研究的势头尚未在信息学方面得到同等的推动。在数据管理软件方面明显缺乏，无法为从事生物治疗药物开发的实验科学家提供支持。SARvision|Biologics 是一款用于分析与生物聚合物相关数据的工具，包括肽、抗体和蛋白质治疗方案。该程序将用于过滤、挖掘和可视化数据以及组织序列所需的算法集成到一个用户界面中。作为数据分析工具的一部分，我们引入了两个新概念：突变悬崖和不变图。不变图显示了当生物聚合物中的一个单体保持在某个位置不变时，其属性的可变性。突变悬崖图则突出显示了一对序列，其中单个或少数几个点突变会导致感兴趣的属性发生很大变化。我们使用从文献中收集的肽数据集来说明该程序及其应用。
