Molecular design device, molecular design method and program
    1.
    发明专利
    Molecular design device, molecular design method and program 有权
    分子设计装置,分子设计方法和程序

    公开(公告)号:JP2008222574A

    公开(公告)日:2008-09-25

    申请号:JP2007059268

    申请日:2007-03-08

    Abstract: PROBLEM TO BE SOLVED: To provide a molecular design device and the like for designing a molecule to be bonded to a target molecule in a short time at low cost or without requiring an advanced skill. SOLUTION: A processing unit 1 acquires a plurality of zero-th generation peptide data representing a peptide as the design object and a target molecule data representing the target molecule and specifies, for each candidate data, a numerical value that represents easiness of coupling between the peptide represented by the candidate data and the target molecule based on the candidate data and the target molecule data, and then selects a peptide having favorable characteristics of coupling with the molecule represented by the target molecule data from each candidate data based on the specified numerical value and according to predetermined standards, and generates a peptide data in the next generation representing a mutation of the selected peptide and further specifies a numerical value. COPYRIGHT: (C)2008,JPO&INPIT

    Abstract translation: 要解决的问题:提供用于在短时间内以低成本设计要结合到靶分子的分子或不需要先进技术的分子设计装置等。 解决方案:处理单元1获取表示肽作为设计对象的多个第零代肽数据和表示目标分子的目标分子数据,并且为每个候选数据指定表示容易的数值 基于候选数据和靶分子数据,将由候选数据表示的肽与目标分子之间的偶联,然后基于候选数据选择具有与来自每个候选数据的目标分子数据所表示的分子的有利特征的肽 指定的数值并根据预定的标准,并产生代表所选肽的突变的下一代肽数据,并进一步指定数值。 版权所有(C)2008,JPO&INPIT

    GENETIC ALGORITHM ANALYSIS DISPLAY PROCESSOR

    公开(公告)号:JPH09305565A

    公开(公告)日:1997-11-28

    申请号:JP12316196

    申请日:1996-05-17

    Abstract: PROBLEM TO BE SOLVED: To provide a genetic algorithm(GA) analysis display processor by which the behavior of a GA is easily understood by visibly displaying the convergence degree of alleles in a chromosome population. SOLUTION: This GA processor for processing the chromosome in bit stream expression is provided with an allele distribution calculating means 4 for operating the frequency of existence inside the population for each allele concerning each locus on the chromosome, an allele distribution display means 7 for performing coloring processing to a cell expressing each locus on the chromosome corresponding to the intra-population existence frequency operated by this allele distribution calculating means 4 while using the color and density corresponding to the kind and existence frequency of allele most existent in that population, and a display means 10 for displaying each cell according to the position of the locus on the chromosome.

    EVOLUTION TYPE ALGORITHM EXECUTION SYSTEM AND PROGRAM RECORDING MEDIUM THEREFOR

    公开(公告)号:JPH11250030A

    公开(公告)日:1999-09-17

    申请号:JP4662698

    申请日:1998-02-27

    Applicant: FUJITSU LTD

    Abstract: PROBLEM TO BE SOLVED: To permit a user to positively participate in the execution of evolution type algorithm and to effectively improve the execution performance of evolution-type algorithm. SOLUTION: An execution device 10 is connected to an interface device 20 through a network 30. Evolution-type algorithm is executed on the execution device 10 under an execution condition which is set in the interface device 20. The progress of the step of evolution-type algorithm is controlled from the interface device 20. An execution process is transmitted to the interface device 20 from the execution device 10, is visualized on the interface device 20 and the processing result is screen-displayed. The object on evolution-type algorithm visualized on the interface device 20 can be changed on a display screen and the change content is reflected on evolution-type algorithm during execution on the execution device 10.

    ANALYSIS DISPLAY PROCESSOR RELATED TO GENETIC ALGORITHM

    公开(公告)号:JPH0981537A

    公开(公告)日:1997-03-28

    申请号:JP23838995

    申请日:1995-09-18

    Abstract: PROBLEM TO BE SOLVED: To graphically display the analytical result of each genetic operation to a chromosome group so that it can be discriminated whether this operation is in a proper direction or not. SOLUTION: The genetic operation device for genetic simulation operations such as chromosome generation, chromosome evaluation, chromosome selection, chromosome crossing-over and chromosome mutation is provided with a storage part 2 where the genetic operation evaluation state of the chromosome group is held, a parental relation analysis part 4 which analyzes the parental relation established by the genetic operation in the chromosome group, a generation transition display control part 7 which displays and controls the generation transition of the parental relation in the chromosome group based on the analytical result of the parental relation analysis part 4, a display device 10, and a control part 2.

    OPTIMIZING PROCESSING METHOD FOR GENETIC ALGORITHM

    公开(公告)号:JPH0793279A

    公开(公告)日:1995-04-07

    申请号:JP23707093

    申请日:1993-09-24

    Applicant: FUJITSU LTD

    Abstract: PURPOSE:To speedily reach an optimum solution while keeping the variety of a genetic group by preparing a half haploid body by subtractive fission from a diploid chromosome and preparing an expressive type from that haploid. CONSTITUTION:The individual of the genetic group to be the target of genetic algorithm is expressed by the diploid chromosome composed of two chromosomes. The haploid is prepared by the dummy subtractive fission for reducing the number of chromosomes by half. The provided haploid is defined as the expressive type to be the target of evaluation. Since the haploid of an individual A is an excellent haploid, it is reserved, the haploids of individuals A-C are selected by the following selection of roulette, and the haploid of an individual D is extinguished since the degree of adaptivity is low. Thus, the provided haploid group is distributed to each individual as an excellent chromosome (d). The excellent chromosome (d) of the individual D is replaced with the haploid provided from the individual A. Thus, the genetic group as shown in a state 4 can be provided.

    GENETIC ALGORITHM OPTIMIZING PROCESS AND STORAGE MEDIUM

    公开(公告)号:JPH11353297A

    公开(公告)日:1999-12-24

    申请号:JP16173098

    申请日:1998-06-10

    Applicant: FUJITSU LTD

    Inventor: ADACHI MUNEMORI

    Abstract: PROBLEM TO BE SOLVED: To accelerate an optimized calculating process by providing a prefer ence calculating means which is a rate of preference as to precedence positions that chromosome precedence is possibly at and a precedence value calculating means which determines a precedence value by making use of the preference to make it easy to find a solution meeting restriction conditions of an object optimization problem. SOLUTION: Preference which is a preferable rate is imparted to respective precedence positions that chromosome precedence is possibly at by the calculation of the preference calculating means 12a and the precedence position calculating means 13a determines a precedence position by making use of the preference. Then the preference calculating means 12a determines the preference of the precedence position by using at least one of the frequency showing how frequently the precedence position is selected by the chromosome precedence and the frequency showing what rate the precedence position is preferably included in the solution at, so that the optimized calculating process can be accelerated.

    METHOD AND DEVICE FOR OPERATING GENETIC ALGORITHM

    公开(公告)号:JPH11120159A

    公开(公告)日:1999-04-30

    申请号:JP27854997

    申请日:1997-10-13

    Applicant: FUJITSU LTD

    Abstract: PROBLEM TO BE SOLVED: To maintain the diversity of a chromosome in a group which is a solution of an optimization problem even if change of generation is repeated. SOLUTION: Indexes of ancestral chromosomes of prescribed generations ago are held as record of ancestors in each chromosome of a group, a set kinship degree calculating part 20 calculates a kinship degree about a set of chromosomes based on ancestral chromosome information of each chromosome and also, a group kinship degree calculating part 22 calculates consanguineous degree about a group. Controlling parts 12 and 14 change a chromosome with alternation of generation by repeating genetic operations of an evaluating part 26, a selecting part 28, a crossing part 30 and a mutating part 32 by using the kinship degrees about a set and a group and execute the retrieval of solution space of an optimization problem.

    DEVICE AND METHOD FOR EXECUTING GENETIC ALGORITHM

    公开(公告)号:JPH08194677A

    公开(公告)日:1996-07-30

    申请号:JP550995

    申请日:1995-01-18

    Applicant: FUJITSU LTD

    Abstract: PURPOSE: To shorten the time for getting an optimum solution by saving a useless calculation amount by narrowing down a solution space to be searched by providing an initializing processing means, chromosome selecting processing means, cross/variation processing means and genetic correcting processing means. CONSTITUTION: When expressing the chromosome of the candidate of the optimum solution, an initializing processing means 2 generates a chromosome group expressing chromosomes by using the rank of interobject cost based on a table prepared by a cost rank table preparing processing means 1 as a genetic factor. A chromosome selecting processing means 3 selects any chromosome out of the chromosome group corresponding to adaptability and a cross/variation processing means 4 performs the cross or mutation operation of the chromosome selected by the means 3. When the objects of the rank shown by a certain genetic factor are overlapped as a result of the cross or mutation operation of chromosomes due to the means 4, a genetic correcting processing means 5 changes that genetic expression into the rank of a minimum non-selected object in the rank of inter-object cost corresponding to that object since that genetic factor is a fatal genetic factor.

    OPTIMIZING QUESTION SOLVING DEVICE

    公开(公告)号:JPH08194675A

    公开(公告)日:1996-07-30

    申请号:JP528095

    申请日:1995-01-17

    Abstract: PURPOSE: To shorten the time for calculation by reducing the search space of an optimum solution at the time of calculating the optimum combination of components by providing a partial group optimizing means and a partial group communicating means. CONSTITUTION: This device is provided with a group control part 1 for respectively transmitting inputted data or parameters to partial group optimizing parts 4-1, 4-2... and an initial group generating part 2, initial group generating part 2 for generating an initial group, partial group communicating part 3 for transmitting chromosomes generated by the generating part 2 to the optimizing parts 4-1, 4-2... or transmitting the chromosomes changed at any one of optimizing parts 4-1, 4-2... to the other part, and partial group optimizing parts 4-1, 4-2... for performing the evaluation, selection, cross or variation of chromosomes or for changing the fixed part. When there are ten components in the binary code chromosome and there is no fixed part, for example, the size of the search space becomes 2 but when one fixed part is composed of two components, the search space becomes 2 and as a result, time for calculation can be shortened.

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