| 摘要 |
<p>A method for selecting a candidate lead compound bondable to a biopolymer as a receptor from a data base containing information on atomic types of compounds and the mode of their covalent bond, comprising the step of selecting a candidate lead compound from the compounds stored in the data base on the basis of quantitative, two-dimensional and/or three-dimensional information of at least one query molecule bondable to the biopolymer. The query molecules can be obtained by an automatic structural construction method, for example. The candidate lead compound bondable to the biopolymer can be quickly retrieved by using an ordinary personal computer or work station without requiring enormous calculations.</p> |
