On structure-sensitivity of degree-based topological indices
One of the general requirements for any topological index TI is that similar molecules have
near-lying TI-values, which is referred to as “smoothness”. Curiously, however, smoothness …
near-lying TI-values, which is referred to as “smoothness”. Curiously, however, smoothness …
The effect of geometrical presentation of multimodal cation-exchange ligands on selective recognition of hydrophobic regions on protein surfaces
J Woo, S Parimal, MR Brown, R Heden… - … of Chromatography a, 2015 - Elsevier
The effects of spatial organization of hydrophobic and charged moieties on multimodal (MM)
cation-exchange ligands were examined by studying protein retention behavior on two …
cation-exchange ligands were examined by studying protein retention behavior on two …
A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood
The ability to define the regions of chemical space where a predictive model can be safely
used is a necessary condition to assure the reliability of new predictions. This implies that …
used is a necessary condition to assure the reliability of new predictions. This implies that …
Defining the property space for chromatographic ligands from a homologous series of mixed-mode ligands
JA Woo, H Chen, MA Snyder, Y Chai, RG Frost… - … of Chromatography A, 2015 - Elsevier
A homologous ligand library based on the commercially-available Nuvia cPrime ligand was
generated to systematically explore various features of a multimodal cation-exchange ligand …
generated to systematically explore various features of a multimodal cation-exchange ligand …
Prediction of polymer properties using infinite chain descriptors (ICD) and machine learning: Toward optimized dielectric polymeric materials
To facilitate the development of new polymeric materials, we report the development of new
heuristic models to predict the dielectric constant, band gap, dielectric loss tangent, and …
heuristic models to predict the dielectric constant, band gap, dielectric loss tangent, and …
From drug discovery QSAR to predictive materials QSPR: the evolution of descriptors, methods, and models
The Materials Genome Initiative (MGI) was conceived as a unified effort to capture, curate,
and exploit materials structure/property information on a grand scale to enable rapid, cost …
and exploit materials structure/property information on a grand scale to enable rapid, cost …
[图书][B] Engineering biomolecular interactions to enhance selectivity in chromatographic separations
J Woo - 2014 - search.proquest.com
The emergence of novel mixed-mode and custom affinity chromatographic media presents
an opportunity to reduce the number of process steps and improve the economics of …
an opportunity to reduce the number of process steps and improve the economics of …
Network measures for chemical library design.
The article examines the developments in network approaches to drug design. Topics
include molecular networks such as interaction, chemical transformation and similar …
include molecular networks such as interaction, chemical transformation and similar …
[图书][B] Protein Developability and Downstream Bioprocessing: from Predictive Tools to Mechanistic Analysis
X Han - 2022 - search.proquest.com
Although protein therapeutics, especially monoclonal antibodies (mAb), have raised
tremendous attention in recent decades due to their efficacy in treating a wide range of …
tremendous attention in recent decades due to their efficacy in treating a wide range of …
[图书][B] A quantitative exploration of the effect of interfacial phenomena on the thermomechanical properties of polymer nanocomposites
B Natarajan - 2013 - search.proquest.com
Polymer nanocomposites (PNC) are complex material systems in which the prevailing
length scales, ie, the particle size, radii of gyration of the polymer and the interparticle …
length scales, ie, the particle size, radii of gyration of the polymer and the interparticle …