发明名称 |
VERFAHREN UND VORRICHTUNG ZUR ANALYSE VON MOLEKULARER KOMBINATION AUF DER GRUNDLAGE VON BERECHNUNGEN DER FORMKOMPLEMENTARITÄT UNTER VERWENDUNG VON BASISEXPANSIONEN |
摘要 |
<p>A method and apparatus for analysis of molecular combinations featuring two or more molecular subsets is described. The method computes the shape complementarity of the system utilizing a basis expansion representing molecular shapes of the first and second molecular subsets in a coordinate system. The precomputed sets of translated expansion coefficients for the first molecular subset are first constructed via application of a translation operator to a reference set of expansion coefficients and then stored on a computer recordable medium for later retrieval. Then, a shape complementarity score, representing a correlation of the first and second molecular subsets, is computed via suitable application of rotation operators to both the stored translated expansion coefficients of the first molecular subset and the reference expansion coefficients for the second molecular subset over the sequence of different sampled configurations for the molecular combination.</p> |
申请公布号 |
AT527613(T) |
申请公布日期 |
2011.10.15 |
申请号 |
AT20040795245T |
申请日期 |
2004.10.14 |
申请人 |
VERSEON |
发明人 |
KITA, DAVID;DATTA, SOMALEE;PRAKASH, ADITYO;FODOR, ENIKO |
分类号 |
G06F19/16;C12Q1/68;G01N33/48;G01N33/50;G06F19/24 |
主分类号 |
G06F19/16 |
代理机构 |
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代理人 |
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主权项 |
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地址 |
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