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21 条记录 (耗时 0.03 秒)

    System, method and computer program product for identifying chemical compounds having desired properties
    1.
    发明授权
    System, method and computer program product for identifying chemical compounds having desired properties 失效

    公开(公告)号：US06421612B1

    公开(公告)日：2002-07-16

    申请号：US08963870

    申请日：1997-11-04

    申请人： Dimitris K. Agrafiotis ,  Roger F. Bone ,  Francis R. Salemme ,  Richard M. Soll

    发明人： Dimitris K. Agrafiotis ,  Roger F. Bone ,  Francis R. Salemme ,  Richard M. Soll

    IPC分类号： G06F1900

    CPC分类号： G06T11/206 ,  B01J19/0046 ,  B01J2219/00689 ,  B01J2219/00691 ,  B01J2219/00695 ,  B01J2219/007 ,  B01J2219/00702 ,  C40B40/00 ,  G06F19/707 ,  G06F19/708 ,  G06K9/6251 ,  G06K9/6253

    摘要： An automatic, partially automatic, and/or manual iterative system, method and/or computer program product for generating chemical entities having desired or specified physical, chemical, functional, and/or bioactive properties. The present invention identifies a set of compounds for analysis; collects, acquires or synthesizes the identified compounds; analyzes the compounds to determine one or more physical, chemical and/or bioactive properties (structure-property data); and uses the structure-property data to identify another set of compounds for analysis in the next iteration. An Experiment Planner generates Selection Criteria and/or one or more Objective Functions for use by a Selector. The Selector searches the Compound Library to identify a subset of compounds (a Directed Diversity Library) that maximizes or minimizes the Objective Functions. The compounds listed in the Directed Diversity Library are then collected, acquired or synthesized, and are analyzed to evaluate their properties of interest. In one embodiment, when a compound in a Directed Diversity Library is available in a Chemical Inventory, the compound is retrieved from the Chemical Inventory instead of re-synthesizing the compound. The Analysis Module receives the compounds of the Directed Diversity Library from the Chemical Inventory and/or the Synthesis Module, analyzes the compounds and outputs Structure-Property data. The Structure-Property data is provided to the Experiment Planner and is also stored in the Structure-Property database. The Experiment Planner defines one or more new Selection Criteria and/or Objective Functions for the next iteration of the invention. In one embodiment, a Structure-Property Model Generator generates Structure-Property Models and provides them to the Experiment Planner which uses the Models to generate subsequent Selection Criteria and/or Objective Function.

    Method for sensing and processing fluorescence data from multiple samples
    2.
    发明授权
    Method for sensing and processing fluorescence data from multiple samples 有权
    用于感测和处理来自多个样品的荧光数据的方法

    公开(公告)号：US06268218B1

    公开(公告)日：2001-07-31

    申请号：US09459997

    申请日：1999-12-14

    申请人： Michael W. Pantoliano ,  Roger F. Bone ,  Alexander W. Rhind ,  Francis R. Salemme

    发明人： Michael W. Pantoliano ,  Roger F. Bone ,  Alexander W. Rhind ,  Francis R. Salemme

    IPC分类号： G01N2164

    CPC分类号： C40B30/04 ,  B01L7/00 ,  B01L7/52 ,  C07K1/047 ,  C12Q1/6811 ,  G01N33/68 ,  G01N33/6803 ,  G01N33/6845 ,  G01N33/86 ,  G01N35/028 ,  G01N2500/00

    摘要： The present invention provides an assay apparatus for that includes a temperature adjusting device for simultaneously heating a plurality of samples, and a receiving device for receiving spectral emission from the samples while the samples are being heated. In further aspects of the invention, the receiving device can be configured to receive fluorescent emission, ultraviolet light, and visible light. The receiving device can be configured to receive spectral emission from the samples in a variety of ways, e.g., one sample at a time, simultaneously from more than one sample, or simultaneously from all of the samples. The temperature adjusting device can be configured with a temperature controller for changing temperature in accordance with a pre-determined profile.

    摘要翻译： 本发明提供了一种用于同时加热多个样品的温度调节装置和用于在样品被加热时从样品接收光谱发射的接收装置的测定装置。 在本发明的其它方面，接收装置可被配置为接收荧光发射，紫外光和可见光。 接收装置可以被配置为以多种方式从样本接收频谱发射，例如一次一个样本，同时来自多于一个样本，或同时来自所有样本。 温度调节装置可以配置有用于根据预定轮廓改变温度的温度控制器。

    Microplate thermal shift assay apparatus for ligand development and multi-variable protein chemistry optimization
    5.
    发明授权
    Microplate thermal shift assay apparatus for ligand development and multi-variable protein chemistry optimization 有权
    用于配体开发和多变量蛋白质化学优化的微板热转移测定装置

    公开(公告)号：US06214293B1

    公开(公告)日：2001-04-10

    申请号：US09459996

    申请日：1999-12-14

    申请人： Michael W. Pantoliano ,  Roger F. Bone ,  Alexander W. Rhind ,  Francis R. Salemme

    发明人： Michael W. Pantoliano ,  Roger F. Bone ,  Alexander W. Rhind ,  Francis R. Salemme

    IPC分类号： G01N2164

    CPC分类号： C40B30/04 ,  B01L7/00 ,  B01L7/52 ,  C07K1/047 ,  C12Q1/6811 ,  G01N33/68 ,  G01N33/6803 ,  G01N33/6845 ,  G01N33/86 ,  G01N35/028 ,  G01N2500/00

    摘要： The present invention provides an assay apparatus for that includes a temperature adjusting means for simultaneously heating a plurality of samples, and a receiving means for receiving spectral emission from the samples while the samples are being heated. In further aspects of the invention, the receiving means can be configured to receive fluorescent emission, ultraviolet light, and visible light. The receiving means can be configured to receive spectral emission from the samples in a variety of ways, e.g., one sample at a time, simultaneously from more than one sample, or simultaneously from all of the samples. The temperature adjusting means can be configured with a temperature controller for changing temperature in accordance with a pre-determined profile.

    摘要翻译： 本发明提供一种用于同时加热多个样品的温度调节装置和用于在样品被加热时从样品接收光谱发射的接收装置的测定装置。 在本发明的另外的方面，接收装置可以被配置为接收荧光发射，紫外光和可见光。 接收装置可以被配置为以多种方式从样本接收光谱发射，例如一次一个样本，同时来自多于一个样本，或同时来自所有样本。 温度调节装置可以配置有用于根据预定轮廓改变温度的温度控制器。