Systems, methods, and apparatus for facilitating chemical analyses

Abstract

A knowledge management platform eliminates the trial and error process for analytical chemists in, for example, identifying appropriate methodologies for separating mixtures of chemical compounds. The platform allows the analytical chemists to perform a variety of searches on data existing from previous experiments, procedures, and/or processes. The platform may be employed to make faster decisions, and ultimately decreases the time taken in selecting an appropriate separation methodology.

What is claimed is: 
     
         1 - 14 . (canceled) 
     
     
         15 . An apparatus for electronically identifying a separation method for separating one or more chemical compounds in a sample, the apparatus comprising:
 a processor; and   a memory having a set of instructions stored thereon, wherein the instructions, when executed by the processor, cause the processor to:
 (i) receive a user query comprising one or more criteria comprising at least one of a chemical structure, a chemical sub-structure, a separation method property, and a separation run property; 
 (ii) access a relational database, wherein the relational database comprises:
 substance data corresponding to a plurality of substances, wherein each substance of the plurality of substances comprises a respective set of chemical substance properties, and each substance of the plurality of substances identifies one or more of a molecule, a biologic, an enzyme, and a protein; and 
 experimental run data from a plurality of completed separation experiments, wherein the experimental run data comprises a set of separation method properties and a set of separation run properties, 
 
 wherein each separation method property of the set of separation method properties and each separation run property of the set of separation run properties is linked in the relational database to at least one respective chemical structure object of a plurality of chemical structure objects, wherein each chemical structure object of the plurality of chemical structure objects corresponds to one or more compounds separated in a respective separation experiment of the plurality of completed separation experiments, and wherein each chemical structure object of the plurality of chemical structure objects is linked in the relational database to a respective set of chemical structure properties associated with a particular substance of the plurality of substances; 
 (iii) identify, within the relational database, responsive to the user query, query results, wherein the query results comprises at least one of:
 (a) one or more separation method properties corresponding to the one or more criteria, and 
 (b) one or more separation run properties corresponding to the one or more criteria; and 
 
 (iv) cause the presentation of the query results.