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filingDate 2019-01-16-04:00^^<http://www.w3.org/2001/XMLSchema#date>
inventor http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_90602535bb360ca86930831cc85c61a4
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publicationDate 2019-07-18-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber US-2019221291-A1
titleOfInvention Apparatuses And Systems Utilizing Zeta Potential Prediction of Structures and Methods of Use Thereof
abstract Various embodiments of the present disclosure provide for an exemplary method that includes: obtaining a modified compound having an improved dissolution in a solution than an original compound; where the modified structure is determined based at least in part on: i) sampling a plurality of molecular conformations of at least one of: 1) the original compound or 2) a plurality of candidate structures; where each candidate structure differs from the original compound in a conformational change, a structural change, or both; comparing, by a processor, average zeta potentials of the plurality of candidate structures among each other and to an average zeta potential of the original compound; and determining, by the processor, based on the comparing, a desired candidate structure, expected to have a higher solubility in the solution; and adapting a desired compound having the at least one desired candidate structure to the solution.
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