公开(公告)号：USD655222S1

公开(公告)日：2012-03-06

申请号：US29390177

申请日：2011-04-21

Applicant: Chaitanya N. Hiremath

Designer： Chaitanya N. Hiremath

公开(公告)号：US08392166B2

公开(公告)日：2013-03-05

申请号：US12209319

申请日：2008-09-12

Applicant: Chaitanya N. Hiremath

Inventor： Chaitanya N. Hiremath

IPC: G06G7/48

CPC classification number: G06F19/12 ,  G06F19/704 ,  G06F19/708

Abstract: A novel numerical and graphical representation has been developed to better comprehend the physicochemical, biological and pharmacokinetic properties of drug-like compounds. Abbreviated profile of drug (A-POD) would help in considering and visualizing the various compound characteristics as one entity. The salient features of A-POD are: a unique way of representing the compound properties, computer friendly numerical string representation making comparison of any properties possible, graphical representation that gives a snapshot of properties and their relative changes, and its usefulness in qualitatively predicting the ADMET properties based on chemical properties alone. This simple yet powerful web-based tool is especially useful in comparing any two compounds at one time. A new therapeutic agent can be compared with the reference compound quickly and easily, by checking which properties are affected and finding out whether it possesses better drug-like properties.

Abstract translation: 已经开发了一种新颖的数字和图形表示，以更好地理解药物样化合物的物理化学，生物学和药代动力学性质。 药物（A-POD）的缩写将有助于将各种复合特征作为一个实体考虑和可视化。 A-POD的显着特征是：表示复合属性的独特方法，计算机友好的数字字符串表示，可以比较任何属性，给出属性快照及其相对变化的图形表示，以及其在定性预测中的有用性 基于化学性质的ADMET性质。 这种简单而强大的基于网络的工具在一次比较任何两种化合物方面特别有用。 通过检查哪些性质受到影响并发现它是否具有更好的药物性质，可以将新的治疗剂与参考化合物快速，容易地进行比较。