发明名称 |
METHODS AND SYSTEMS FOR SELECTING MOLECULAR STRUCTURES |
摘要 |
A method and system for the design of molecules having specific desired properties by continuously optimizing electron-nuclear attraction potentials within a space. Using a linear combination of atomic potentials, optimal and near-optimal structures may be designed without enumerating and separately evaluating each of the combinatorial number of possible structures, thus achieving improved design throughput.
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申请公布号 |
US2008235167(A1) |
申请公布日期 |
2008.09.25 |
申请号 |
US20080032414 |
申请日期 |
2008.02.15 |
申请人 |
BERATAN DAVID N;YANG WEITAO |
发明人 |
BERATAN DAVID N.;YANG WEITAO |
分类号 |
G06F15/18 |
主分类号 |
G06F15/18 |
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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