PMC:6194691 / 51885-52945
Annnotations
{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/6194691","sourcedb":"PMC","sourceid":"6194691","source_url":"https://www.ncbi.nlm.nih.gov/pmc/6194691","text":"To obtain better estimates of the free energy, Abraham and colleagues (see [165–168]) have employed linear free energy relations, LFER, to calculate correlations based on a two step process. First quantitative “descriptors” of the molecules under consideration are chosen without regard to the process of interest. Then, once the descriptors have been chosen, the relevant free energy changes for processes such as partition into a solvent or permeability across the blood–brain barrier, are calculated as linear sums of the descriptors with coefficients that depend on the process but not on the molecules (see e.g. [160, 165, 166]. Having used data for some substances to calculate the LFER coefficients, these can then be used for other substances. This approach has been applied with considerable success to partition into solvents for many more molecules than are needed to calculate the coefficients [165]. It has also allowed closer prediction of blood–brain barrier permeabilities than the simple solubility-diffusion model [166, 167] (see Appendix C).","tracks":[{"project":"MyTest","denotations":[{"id":"30340614-9466345-30706079","span":{"begin":76,"end":79},"obj":"9466345"},{"id":"30340614-15051171-30706079","span":{"begin":76,"end":79},"obj":"15051171"},{"id":"30340614-21374607-30706079","span":{"begin":76,"end":79},"obj":"21374607"},{"id":"30340614-10696512-30706080","span":{"begin":618,"end":621},"obj":"10696512"},{"id":"30340614-9466345-30706081","span":{"begin":628,"end":631},"obj":"9466345"},{"id":"30340614-9466345-30706082","span":{"begin":1033,"end":1036},"obj":"9466345"},{"id":"30340614-15051171-30706083","span":{"begin":1038,"end":1041},"obj":"15051171"}],"namespaces":[{"prefix":"_base","uri":"https://www.uniprot.org/uniprot/testbase"},{"prefix":"UniProtKB","uri":"https://www.uniprot.org/uniprot/"},{"prefix":"uniprot","uri":"https://www.uniprot.org/uniprotkb/"}],"attributes":[{"subj":"30340614-9466345-30706079","pred":"source","obj":"MyTest"},{"subj":"30340614-15051171-30706079","pred":"source","obj":"MyTest"},{"subj":"30340614-21374607-30706079","pred":"source","obj":"MyTest"},{"subj":"30340614-10696512-30706080","pred":"source","obj":"MyTest"},{"subj":"30340614-9466345-30706081","pred":"source","obj":"MyTest"},{"subj":"30340614-9466345-30706082","pred":"source","obj":"MyTest"},{"subj":"30340614-15051171-30706083","pred":"source","obj":"MyTest"}]},{"project":"2_test","denotations":[{"id":"30340614-9466345-30706079","span":{"begin":76,"end":79},"obj":"9466345"},{"id":"30340614-15051171-30706079","span":{"begin":76,"end":79},"obj":"15051171"},{"id":"30340614-21374607-30706079","span":{"begin":76,"end":79},"obj":"21374607"},{"id":"30340614-10696512-30706080","span":{"begin":618,"end":621},"obj":"10696512"},{"id":"30340614-9466345-30706081","span":{"begin":628,"end":631},"obj":"9466345"},{"id":"30340614-9466345-30706082","span":{"begin":1033,"end":1036},"obj":"9466345"},{"id":"30340614-15051171-30706083","span":{"begin":1038,"end":1041},"obj":"15051171"}],"attributes":[{"subj":"30340614-9466345-30706079","pred":"source","obj":"2_test"},{"subj":"30340614-15051171-30706079","pred":"source","obj":"2_test"},{"subj":"30340614-21374607-30706079","pred":"source","obj":"2_test"},{"subj":"30340614-10696512-30706080","pred":"source","obj":"2_test"},{"subj":"30340614-9466345-30706081","pred":"source","obj":"2_test"},{"subj":"30340614-9466345-30706082","pred":"source","obj":"2_test"},{"subj":"30340614-15051171-30706083","pred":"source","obj":"2_test"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"MyTest","color":"#b5ec93","default":true},{"id":"2_test","color":"#ec93cf"}]}]}}