3D molecular fragment descriptors for structure–property modeling: predicting the free energies for the complexation between antipodal guests and β-cyclodextrins
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Inclusion Phenomena and Macrocyclic Chemistry"
DOI: 10.1007/s10847-017-0739-z
Abstract: We report new 3D fragment descriptors to model parameters and properties of stereoisomeric molecules and conformers. New 3D fragment descriptors have been applied to discriminate between stereoisomers in predictive QSPR modeling of the standard free… read more here.
Keywords: property modeling; descriptors structure; molecular fragment; complexation ... See more keywords
Grid filtering method for shale reservoir 3-D property modeling using horizontal well data
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Natural Gas Science and Engineering"
DOI: 10.1016/j.jngse.2021.104208
Abstract: Abstract Wells drilled in the core area of shale reservoir are predominantly horizontal compared to vertical wells in conventional reservoirs. Due to the different features of data in horizontal and vertical wells, the 3-D property… read more here.
Keywords: shale reservoir; penetrated grids; property; property modeling ... See more keywords