QSAR and SPECTRAL-SAR in Computational Ecotoxicology

”This monograph gathers, through a collection of original papers, the methodology and implementation of the newly QSAR method, built on algebraic means--the SPECTRAL-SAR, with toxicological applications for paradigmatic classes (including ionic liquids) of molecules and aquatic species. The book responds to the currents needs for in silico assessment of the mechanistic interpretation of the ligand-receptor interactions in open systems, especially where statistical analysis provides limited interpretation of the results. Overall, the volume may be regarded as a collection of advanced chapters in computational ecotoxicology equally valuable for graduate students and researchers working in the field of environmental sciences.”
--Prof. dr. Vasile Chis, Faculty of Physics, Babes-Bolyai University, Romania

“This innovative and well-written book, edited by Prof. Putz, largely expands the OECD QSAR Toolbox available online by introducing new powerful concepts, like the minimum spectral path principle, and new correlation factors to measure chemical–biological interactions. These algorithms constitute the SPECTRAL-SAR approach and achieve ‘spectacular computational results’ in all the studies presented in the book. The book is instrumental for university and chemical industry researchers in their daily jobs in filling gaps in ecotoxicity data needed for assessing the hazards of chemicals.”
--Dr. Ottorino Ori, Actinium Chemical Research, Rome, Italy