Each major release of Effectopedia is being dedicated to leaders in QSAR and computational toxicology who created the foundations for Effectopedia and the vision for relating important chemico-biological interactions directly with the structure of chemicals.
The alpha release of Effectopedia is dedicated to Dr. Albert J. Leo for his leadership in understanding the physical nature of partitioning behavior of chemicals in biological systems, and in establishing octanol/water partitioning (LogP) as a model system. Al Leo established the methods to accurately measure Log P for hydrophobic chemicals and then engineered the databases into the fragment method for calculating LogP directly from chemical structure. When he later computerized the calculation of LogP for tens of thousands of untested chemicals, he enabled all governments to eliminate or control the hazards of most bioaccumulative chemicals used in commerce.
Amidst the many efforts by others to improve accuracy, CLOGP and its associated knowledge basis remains the gold standard for partitioning behavior. We hold as example his steadfast enthusiasm for looking deeper into the subtleties of chemical behavior to find the significance of seemingly small structural variations.
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