The first step in the process of drug development is to determine those lead compounds that
demonstrate significant biological activity with regard to a target protein. Because this …

The emergence of antimicrobial resistance has led to an increase in research directed
toward the engineering of novel polyketides. To date, less than 10 000 polyketide structures …

The problem of exhaustive, nonredundant generation of isomers of acyclic graphs was
considered. A new canonical indexing algorithm, based on the Morgan indexing technique …

Generation of organic stereoisomers with R/S, Z/E, and/or M/P configurations that may
contain heteroatoms, multiple bonds, and any kind of cycle (isolated, spiro, condensed, and …

This work, based on graph theory, presents a US-CAMGEC software developed for analysis,
generation, and counting organic unsaturated stereoisomers with isolated or cumulated …

A program is described that accepts graphics input to a computer of conventional 2D
representations of stereoisomers and makes configurational assignments. The present …