[图书][B] Chemometrics applications and research: QSAR in medicinal chemistry
AG Mercader, PR Duchowicz, PM Sivakumar - 2016 - books.google.com
This important new book provides innovative material, including peer-reviewed chapters
and survey articles on new applied research and development, in the scientifically important …
and survey articles on new applied research and development, in the scientifically important …
Study on quantitative structure-biodegradability relationships of amine collectors by GFA-ANN method
In this study, the biodegradability of 17 amine collectors, categorized by fatty amine,
quaternary ammonium compounds and oxygen-containing amine collectors, are tested with …
quaternary ammonium compounds and oxygen-containing amine collectors, are tested with …
Quantitative structure–toxicity relationship of the aquatic toxicity for various narcotic pollutants using the norm indexes
Q Wang, Q Jia, L Yan, S Xia, P Ma - Chemosphere, 2014 - Elsevier
The aquatic toxicity value of hazardous contaminants plays an important role in the risk
assessments of aquatic ecosystems. The following study presents a stable and accurate …
assessments of aquatic ecosystems. The following study presents a stable and accurate …
Modeling photo-oxidative degradation of aromatics in water. Optimization study using response surface and structural relationship approaches
The study described herein was aimed at a combined modeling performance, applying
response surface methodology (RSM) and quantitative structure–property relationship …
response surface methodology (RSM) and quantitative structure–property relationship …
Design of novel leads: ligand based computational modeling studies on non-nucleoside reverse transcriptase inhibitors (NNRTIs) of HIV-1
NJ Pancholi, S Gupta, N Sapre, NS Sapre - Molecular BioSystems, 2014 - pubs.rsc.org
Researchers are on the constant lookout for new antiviral agents for the treatment of AIDS. In
the present work, ligand based modeling studies are performed on analogues of substituted …
the present work, ligand based modeling studies are performed on analogues of substituted …
Application of Multivariate Classification Protocols in Research Focusing on Food, Environmental Samples, and Wastewater Technological Processes
R Świderska-Dąbrowska, K Piaskowski… - Journal of AOAC …, 2017 - academic.oup.com
Abstract Analysis and quantification of multiple analytes in complex samples originating from
food and environmentalmatrixes generate large data sets that can be difficult to analyze and …
food and environmentalmatrixes generate large data sets that can be difficult to analyze and …
OF QSAR/QSPR MODELS
K ROY, S KAR - api.taylorfrancis.com
Quantitative structure–activity/property relationship (QSAR/QSPR) models being used for the
prediction of activity/property of untested chemicals can be exploited for the prioritization …
prediction of activity/property of untested chemicals can be exploited for the prioritization …
[PDF][PDF] Predicción de la presión de vapor de esteres ftálicos empleados como plastificantes en función de su estructura molecular por descriptores moleculares
VAA RUIZ - 2018 - core.ac.uk
La presión de vapor de los esteres ftálicos fueron calculados por el uso de descriptores
moleculares derivados de sus estructuras. Los ésteres ftálicos fueron tomados del artículo …
moleculares derivados de sus estructuras. Los ésteres ftálicos fueron tomados del artículo …
Application of GFA-MLR and G/PLS Techniques in QSAR/QSPR Studies with Application in Medicinal Chemistry and Predictive Toxicology
Quantitative structure–activity/property/toxicity relationship (QSAR/QSPR/QSTR) models
enable predictions of activity/property/toxicities to be made directly from the chemical …
enable predictions of activity/property/toxicities to be made directly from the chemical …
Solubilité aqueuse, coefficient de partage octanol-eau et pression de vapeur de contaminants alimentaires organiques de la famille des phthalates et alkylphénols …
H Ishak - 2017 - theses.fr
Cette étude s' attache à la caractérisation physico-chimique des contaminants des
emballages alimentaires organiques, précisément les phtalates et les alkylphénols, en …
emballages alimentaires organiques, précisément les phtalates et les alkylphénols, en …