Sökning: onr:"swepub:oai:DiVA.org:uu-342632" > Computational predi...
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000 | 02850naa a2200325 4500 | |
001 | oai:DiVA.org:uu-342632 | |
003 | SwePub | |
008 | 180223s2018 | |||||||||||000 ||eng| | |
024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-3426322 URI |
024 | 7 | a https://doi.org/10.1016/j.ijpharm.2018.01.0442 DOI |
040 | a (SwePub)uu | |
041 | a engb eng | |
042 | 9 SwePub | |
072 | 7 | a ref2 swepub-contenttype |
072 | 7 | a for2 swepub-publicationtype |
100 | 1 | a Bergström, Christel A S,d 1973-u Uppsala universitet,Institutionen för farmaci4 aut0 (Swepub:uu)cjo29958 |
245 | 1 0 | a Computational prediction of drug solubility in water-based systems :b qualitative and quantitative approaches used in the current drug discovery and development setting |
264 | 1 | b Elsevier BV,c 2018 |
338 | a electronic2 rdacarrier | |
520 | a In this review we will discuss recent advances in computational prediction of solubility in water-based solvents. Our focus is set on recent advances in predictions of biorelevant solubility in media mimicking the human intestinal fluids and on new methods to predict the thermodynamic cycle rather than prediction of solubility in pure water through quantitative structure property relationships (QSPR). While the literature is rich in QSPR models for both solubility and melting point, a physicochemical property strongly linked to the solubility, recent advances in the modelling of these properties make use of theory and computational simulations to better predict these properties or processes involved therein (e.g. solid state crystal lattice packing, dissociation of molecules from the lattice and solvation). This review serves to provide an update on these new approaches and how they can be used to more accurately predict solubility, and also importantly, inform us on molecular interactions and processes occurring during drug dissolution and solubilisation. | |
650 | 7 | a MEDICIN OCH HÄLSOVETENSKAPx Medicinska och farmaceutiska grundvetenskaperx Farmaceutiska vetenskaper0 (SwePub)301012 hsv//swe |
650 | 7 | a MEDICAL AND HEALTH SCIENCESx Basic Medicinex Pharmaceutical Sciences0 (SwePub)301012 hsv//eng |
700 | 1 | a Larsson, Peru Uppsala universitet,Institutionen för farmaci4 aut0 (Swepub:uu)pelar499 |
710 | 2 | a Uppsala universitetb Institutionen för farmaci4 org |
773 | 0 | t International Journal of Pharmaceuticsd : Elsevier BVg 540:1-2, s. 185-193q 540:1-2<185-193x 0378-5173x 1873-3476 |
856 | 4 | u https://doi.org/10.1016/j.ijpharm.2018.01.044y Fulltext |
856 | 4 | u https://uu.diva-portal.org/smash/get/diva2:1185336/FULLTEXT01.pdfx primaryx Raw objecty fulltext:print |
856 | 4 | u https://doi.org/10.1016/j.ijpharm.2018.01.044 |
856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-342632 |
856 | 4 8 | u https://doi.org/10.1016/j.ijpharm.2018.01.044 |
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