A computationally-based hazard identification algorithm that incorporates ligand flexibility. 1. Identification of potential androgen receptor ligands
Article Abstract:
A computationally-based hazard identification algorithm that includes ligand flexibility proves useful in identifying and measuring specific global and local stereoelectronic characteristics observed in active compounds. The stereoelectronic characteristics were determined by comparing energetically-reasonable distributions for specific descriptors. The stereoelectronic parameters have allowed a more exhaustive measurement of the similarities between the conformers of the active ligands which have yielded a model that could effectively screen compounds for binding affinity.
Publication Name: Environmental Science & Technology
Subject: Science and technology
ISSN: 0013-936X
Year: 1997
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Environmental monitoring and ecology
Article Abstract:
Future research should focus on improving existing long-term environmental monitoring systems with the aim of gaining greater understanding of ecological systems. The data coming from the systems currently in use is unreliable because of their incompleteness, varied quality and collection processes. Such problems may be overcome and may be effectively used to measure ecological goal attainment through government review of existing systems, legislative identification of ecological research, and development of new systems.
Publication Name: Environmental Science & Technology
Subject: Science and technology
ISSN: 0013-936X
Year: 1997
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