• QSAR
  • TIs can subsequently be used to seek quantitative structure-activity relationships (QSAR), which are models connecting chemical structure with biological activity. (eurekaselect.com)
  • Emphasis is placed on new chiral TIs (CTIs), flexible TIs for unifying QSAR models with multiple targets, topographic indices (TPGIs), TIs for DNA and protein sequences, TIs for 2D RNA structures, TPGIs and drug-protein or drug-RNA quantitative structure-binding relationship (QSBR) studies, TIs to encode protein surface information and TIs for protein interaction networks (PINs). (eurekaselect.com)
  • representation
  • Similarly to the calamitic LCs, discotic LCs possess a general structure comprising a planar (usually aromatic) central rigid core surrounded by a flexible periphery, represented mostly by pendant chains (usually four, six, or eight), as illustrated in the cartoon representation in figure below. (slideserve.com)