Melting Point Profile of Organic Molecules and the 3D molecular assemblage of a case-study molecule in the mp region (Reproducibility Information)

These datasets comprise a comprehensive stepwise build-up of a melting point model set on the combined use of MOLMAP codification approach of organic molecules and the Random Forest algorithm. The resultant model combined with the gettree.class and simtv.class programs are used to obtain the 3D spatial arrangement in the melting point region of 2-(2,4-dichlorophenoxy)acetic acid (2,4-D). Check Method.pdf for complete information.本数据集包含一套基于有机分子MOLMAP编码法（MOLMAP）与随机森林（Random Forest）算法结合使用的完整逐步构建的熔点模型相关数据。所得模型结合gettree.class及simtv.class程序，可用于获取2-(2,4-二氯苯氧基)乙酸（2,4-D）熔点区域的三维空间排布。完整信息请查阅Method.pdf文件。