公开(公告)号：US09589219B1

公开(公告)日：2017-03-07

申请号：US14963639

申请日：2015-12-09

Applicant: eBay Inc.

Inventor： Sergio Pinzon Gonzales, Jr.

IPC: G06K19/06 ,  G06F19/00

CPC classification number: G06K7/084 ,  G01C17/28 ,  G01C21/08 ,  G01R33/0206 ,  G06F19/00 ,  G06F19/324 ,  G06F19/708 ,  G06K19/06187 ,  G16H10/60 ,  G16H10/65

Abstract: In various example embodiments, a system and method for reading magnetic information by a mobile device are presented. In example embodiments, the mobile device comprises a housing having an integrated surface for swiping a magnetic swipe card and a magnetometer, positioned within the housing, for detecting direction and strength of magnetic fields to read magnetic information from a variety of sources and to produce digital magnetometer output signals. The digital magnetometer output signals represent magnetic information derived from the magnetic swipe card and from the Earth's magnetic fields (or other sources). Each of the digital magnetometer output signals having a magnitude related to the strength of the detected magnetic fields. The mobile device determines at least some of the digital magnetometer output signals represent the magnetic information derived from the magnetic swipe card and provides that information to a magnetic card application for processing. The mobile device determine at least some of the digital magnetometer output signals represent the magnetic information derived from the Earth's magnetic fields and provides that information to a compass application for processing.

Abstract translation: 在各种示例实施例中，呈现了由移动设备读取磁信息的系统和方法。 在示例实施例中，移动设备包括具有集成表面的外壳，用于刷卡磁卡和位于壳体内的磁力计，用于检测磁场的方向和强度以从各种源读取磁信息并产生数字 磁力计输出信号。 数字磁力计输出信号表示从磁刷卡和地球磁场（或其他来源）得到的磁信息。 每个数字磁力计输出信号具有与所检测的磁场的强度相关的幅度。 移动设备确定至少一些数字磁力计输出信号表示从磁刷卡导出的磁信息，并将该信息提供给磁卡应用程序进行处理。 移动设备确定数字磁力计输出信号中的至少一些表示从地球磁场导出的磁信息，并将该信息提供给指南针应用程序进行处理。

公开(公告)号：US09530095B2

公开(公告)日：2016-12-27

申请号：US13970191

申请日：2013-08-19

Applicant: INTERNATIONAL BUSINESS MACHINES CORPORATION

Inventor： Nan Cao ,  Jianying Hu ,  Robert K. Sorrentino ,  Fei Wang ,  Ping Zhang

IPC: G06N5/02 ,  G06F19/00

CPC classification number: G06F19/704 ,  G06F19/707 ,  G06F19/708 ,  G06N5/02 ,  G06N5/022

Abstract: A system and method for analyzing chemical data including a processor and one or more classifiers, stored in memory and coupled to the processor, which further includes an indication predictive module configured to predict whether a given chemical treats a particular indication or not and a side effect predictive module configured to predict whether a given chemical causes a side-effect or not. A correlation engine is configured to determine one or more correlations between one or more indications and one or more side effects for the given chemical and a visualization tool is configured to analyze the one or more correlations and to output results of the analysis.

Abstract translation: 一种用于分析化学数据的系统和方法，包括存储在存储器中并耦合到处理器的处理器和一个或多个分类器，其进一步包括指示预测模块，其被配置为预测给定化学品是否处理特定指示和副作用 预测模块被配置为预测给定化学品是否导致副作用。 相关引擎被配置为确定一个或多个指示与给定化学品的一个或多个副作用之间的一个或多个相关性，并且可视化工具被配置为分析一个或多个相关性并输出分析结果。

公开(公告)号：US20150006439A1

公开(公告)日：2015-01-01

申请号：US13971072

申请日：2013-08-20

Applicant: INTERNATIONAL BUSINESS MACHINES CORPORATION

Inventor： Nan Cao ,  Jianying Hu ,  Robert K. Sorrentino ,  Fei Wang ,  Ping Zhang

IPC: G06N5/02

CPC classification number: G06F19/704 ,  G06F19/707 ,  G06F19/708 ,  G06N5/02 ,  G06N5/022

Abstract: A system and method for analyzing chemical data including a processor and one or more classifiers, stored in memory and coupled to the processor, which further includes an indication predictive module configured to predict whether a given chemical treats a particular indication or not and a side effect predictive module configured to predict whether a given chemical causes a side-effect or not. A correlation engine is configured to determine one or more correlations between one or more indications and one or more side effects for the given chemical and a visualization tool is configured to analyze the one or more correlations and to output results of the analysis.

公开(公告)号：US08854361B1

公开(公告)日：2014-10-07

申请号：US14058865

申请日：2013-10-21

Applicant: CambridgeSoft Corporation

Inventor： Robin Y. Smith

IPC: G06T15/00 ,  G09G5/00 ,  G06T19/00

CPC classification number: G06F19/12 ,  G06F3/14 ,  G06F19/701 ,  G06F19/708 ,  G06T19/006 ,  G09B5/02 ,  G09G2340/10 ,  G09G2370/022 ,  G09G2380/08

Abstract: In certain embodiments, the invention relates to systems, methods, and apparatus that allow a user to visually augment a graphical rendering of either a chemical structure representation or a biological sequence representation with multi-dimensional information. A user captures a video image using a computing device such as a hand-held smart phone, computerized eye glasses or tablet computer. The video image includes information regarding at least one of a chemical structure and a biological sequence. A processor identifies, within the video image, a graphical representation of at least one of a chemical structure and a biological structure. The processor augments the graphical representation with additional information and provides the video data for presentation upon a display controlled by the computing device. The computing device presents the video data in substantially real time in relation to the capture of the video data by the computing device.

Abstract translation: 在某些实施例中，本发明涉及允许用户使用多维信息视觉地增加化学结构表示或生物序列表示的图形呈现的系统，方法和装置。 用户使用诸​​如手持智能电话，电脑眼镜或平板计算机的计算设备捕获视频图像。 视频图像包括关于化学结构和生物序列中的至少一个的信息。 处理器在视频图像内识别化学结构和生物结构中的至少一个的图形表示。 处理器用附加信息增强图形表示，并提供用于在由计算设备控制的显示器上呈现的视频数据。 计算设备相对于由计算设备捕获视频数据而基本上实时呈现视频数据。

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。

公开(公告)号：US08200439B2

公开(公告)日：2012-06-12

申请号：US12904968

申请日：2010-10-14

Applicant: Randy J. Zauhar ,  William J. Welsh

Inventor： Randy J. Zauhar ,  William J. Welsh

IPC: G06F19/00 ,  G01N33/48

CPC classification number: G06F19/708 ,  G06F19/16 ,  G06F19/706

Abstract: Methods related to the generation of shape signatures representing molecular shape, and using shape signatures in both ligand-based and receptor-based molecular design. Ray-tracing is used to explore the volume interior to a ligand, or the space exterior to a receptor site. Shape signatures are then probability distributions derived from the ray-traces. Shape signatures provide condensed descriptors of shape properties readily compared to each other to test for shape similarity or complementarity.

公开(公告)号：US08140267B2

公开(公告)日：2012-03-20

申请号：US11428147

申请日：2006-06-30

Applicant: Stephen Kane Boyer ,  Gregory Breyta ,  Tapas Kanungo ,  Jeffrey Thomas Kreulen ,  James J. Rhodes

Inventor： Stephen Kane Boyer ,  Gregory Breyta ,  Tapas Kanungo ,  Jeffrey Thomas Kreulen ,  James J. Rhodes

IPC: G01N33/48 ,  G01N33/50 ,  G06F17/50

CPC classification number: G06F19/705 ,  G06F19/708

Abstract: A vectorization process is employed in which chemical identifier strings are converted into respective vectors. These vectors may then be searched to identify molecules that are identical or similar to each other. The dimensions of the vector space can be defined by sequences of symbols that make up the chemical identifier strings. The International Chemical Identifier (InChI) string defined by the International Union of Pure and Applied Chemistry (IUPAC) is particularly well suited for these methods.

Abstract translation: 采用向量化过程，其中化学品标识符串被转换成各自的向量。 然后可以搜索这些载体以鉴别彼此相同或相似的分子。 向量空间的维度可以由构成化学标识符串的符号序列来定义。 由国际纯粹和应用化学联合会（IUPAC）定义的国际化学标识符（InChI）字符串特别适用于这些方法。

公开(公告)号：US20110307180A1

公开(公告)日：2011-12-15

申请号：US13084999

申请日：2011-04-12

Applicant: Thomas Henry Barrett, JR. ,  Corey Donald Dehaven ,  Danny C. Alexander ,  Sarada Tanikella

Inventor： Thomas Henry Barrett, JR. ,  Corey Donald Dehaven ,  Danny C. Alexander ,  Sarada Tanikella

IPC: G06F19/10 ,  G06F19/26 ,  G06F19/12

CPC classification number: G06F19/703 ,  G06F19/12 ,  G06F19/708

Abstract: The present invention generates a visual display of metabolomic data compiled by a database and associated processor. More particularly, the present invention provides a database for automatically receiving a three-dimensional spectrometry data set for a group of samples. The present invention also provides a processor device for manipulating the data sets to produce plots that are directly comparable to a plurality of characteristic plots corresponding to a plurality of selected metabolites. Furthermore, the processor device may generate a visual display indicating the presence of the selected metabolites across the group of samples. Thus, the present invention enables a user to analyze a series of complex data sets in a visual display that may indicate the presence of the selected metabolites across the group of samples. Furthermore, the visual display generated by embodiments of the present invention also expedites the subjective analysis of the spectrometry data sets.

Abstract translation: 本发明生成由数据库和相关联的处理器编译的代谢组学数据的视觉显示。 更具体地，本发明提供一种用于自动接收一组样本的三维光谱数据集的数据库。 本发明还提供了一种用于操纵数据集以产生与对应于多个选择的代谢物的多个特征图直接相比的图的处理器装置。 此外，处理器设备可以生成指示所选择的代谢物在整个样本组中的存在的视觉显示。 因此，本发明使得用户能够分析视觉显示中的一系列复杂数据集，其可以指示所选择的代谢物在整个样本组中的存在。 此外，由本发明的实施例产生的视觉显示也加速了对光谱测定数据集的主观分析。

公开(公告)号：US07970580B2

公开(公告)日：2011-06-28

申请号：US12791448

申请日：2010-06-01

Applicant: Thomas Young ,  Robert Abel ,  Richard A. Friesner ,  Bruce J. Berne

Inventor： Thomas Young ,  Robert Abel ,  Richard A. Friesner ,  Bruce J. Berne

IPC: G01N33/48

CPC classification number: G06F19/706 ,  G06F19/704 ,  G06F19/708

Abstract: Described is a technique to exhaustively enumerate the thermodynamic properties of the water molecules solvating the active site of a protein in its apostate and calculate the relative binding affinities of congeneric compounds that bind to this protein. The subject matter includes sampling the configurations of the solvating water in the active site; extracting the thermodynamic information about the solvating water from these configurations by clustering the observed water configurations into regions of high water occupancy (e.g., “hydration sites”), computing the average system interaction energies of water molecules occupying the various hydrations sites, computing excess entropies of water molecules occupying the hydration sites; constructing a 3 dimensional hydration thermodynamics map of the protein active site; and computing relative binding affinities of congeneric ligands based on the principle that tighter binding ligands can displace more entropically structured and energetically depleted hydration sites from the active site into the bulk fluid.

公开(公告)号：US20100241412A1

公开(公告)日：2010-09-23

申请号：US12791493

申请日：2010-06-01

Applicant: Thomas Young ,  Robert Abel ,  Richard A. Friesner ,  Bruce J. Berne

Inventor： Thomas Young ,  Robert Abel ,  Richard A. Friesner ,  Bruce J. Berne

IPC: G06G7/58

CPC classification number: G06F19/706 ,  G06F19/704 ,  G06F19/708

Abstract: Described is a technique to exhaustively enumerate the thermodynamic properties of the water molecules solvating the active site of a protein in its apostate and calculate the relative binding affinities of congeneric compounds that bind to this protein. The subject matter includes sampling the configurations of the solvating water in the active site; extracting the thermodynamic information about the solvating water from these configurations by clustering the observed water configurations into regions of high water occupancy (e.g., “hydration sites”), computing the average system interaction energies of water molecules occupying the various hydrations sites, computing excess entropies of water molecules occupying the hydration sites; constructing a 3 dimensional hydration thermodynamics map of the protein active site; and computing relative binding affinities of congeneric ligands based on the principle that tighter binding ligands can displace more entropically structured and energetically depleted hydration sites from the active site into the bulk fluid.