R-SIM

R-SIM contains binding affinity data of 2,501 experimentally verified RNA-small molecule complexes. The data has been collected from two of the existing databases (SMMRNA and RBIND) and published literature. Along with binding affinity, each entry also includes the experimental conditions involved, RNA sequence and classification, SMILES, 2D structure, various key physicochemical properties of each small molecule, and the experimental or modeled structure of the RNA-small molecule complex.R-SIM 包含2501条经实验验证的RNA-小分子复合物结合亲和力数据。本数据集的数据采集自两个现有数据库（SMMRNA与RBIND）以及已发表的学术文献。除结合亲和力外，每条数据条目还涵盖了相关实验条件、RNA序列与分类信息、SMILES、二维结构、各小分子的多项关键理化性质，以及RNA-小分子复合物的实验解析结构或建模结构。

搜集汇总

背景与挑战

背景概述

R-SIM数据集整合了2,501个经实验验证的RNA-小分子复合物的结合亲和力数据，来源于现有数据库和已发表文献。它还包括实验条件、RNA序列与分类、小分子SMILES、2D结构、理化性质以及复合物结构等详细信息。