Molecular Structure Description: The Electrotopological State

The Electrotopological State Is A New Approach To Defining Key Structural Features Of A Molecule In Drug Design. Combining Both Electronic And Topological Attributes, The E-state Index Facilitates The Development Of A Structure - Activity Model, The Definition Of A Pharmacophore, And The Search Through A Database For Similar Or Dissimilar Compounds. The Background For The Method, The Concept Of The Intrinsic State, And The E-state Index As A Function Of The Atom Or Group Within The Field Of All Atoms In A Molecule Are All Described In This Primer For A New Structure Paradigm. Software On The Bundled Cd-rom Allows The Reader To Compute And Display The E-state Indices For Molecules, While Examples In The Book Illustrate Strategies That Can Be Used In Drug Research.