A new computational model for the prediction of toxicity of phosphonate derivatives using QSPR

Detoxification of VX and Other V-Type Nerve Agents in Water at 37 °C and pH 7.4 by Substituted Sulfonatocalix[4]arenes

(2016) Christian Schneider et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Incorporation of Phosphonate into Benzonaphthyridine Toll-like Receptor 7 Agonists for Adsorption to Aluminum Hydroxide

(2016) Alex Cortez et al.   JOURNAL OF MEDICINAL CHEMISTRY

Reduced density gradient as a novel approach for estimating QSAR descriptors, and its application to 1, 4-dihydropyridine derivatives with potential antihypertensive effects

(2016) Christiaan Jardínez et al.   JOURNAL OF MOLECULAR MODELING

Nontarget effects of chemical pesticides and biological pesticide on rhizospheric microbial community structure and function in Vigna radiata

(2015) Sunil Singh et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Quantitative structure–activity/ecotoxicity relationships (QSAR/QEcoSAR) of a series of phosphonates

(2015) Alina-Maria Petrescu et al.   ENVIRONMENTAL TOXICOLOGY AND PHARMACOLOGY

Potential toxic effects of glyphosate and its commercial formulations below regulatory limits

(2015) R. Mesnage et al.   FOOD AND CHEMICAL TOXICOLOGY

Density Functional Theory and Electrochemical Studies: Structure–Efficiency Relationship on Corrosion Inhibition

(2015) Rosa L. Camacho-Mendoza et al.   Journal of Chemical Information and Modeling

Benefits of statistical molecular design, covariance analysis, and reference models in QSAR: a case study on acetylcholinesterase

(2014) C. David Andersson et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

The effect of metabolites and impurities of glyphosate on human erythrocytes (in vitro)

(2014) Marta Kwiatkowska et al.   PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY

Wavefunction and reactivity study of benzo[a]pyrene diol epoxide and its enantiomeric forms

(2014) Tian Lu et al.   STRUCTURAL CHEMISTRY

Acetylcholinesterase Inhibitors: Pharmacology and Toxicology

(2013) Mirjana B. Colovic et al.   Current Neuropharmacology

Structure-Based Design and Synthesis of Benzothiazole Phosphonate Analogues with Inhibitors of Human ABAD-Aβ for Treatment of Alzheimer’s Disease

(2012) Koteswara R. Valasani et al.   Chemical Biology & Drug Design

Assessment of the predictive capacity of the 3T3 Neutral Red Uptake cytotoxicity test method to identify substances not classified for acute oral toxicity (LD50>2000mg/kg): Results of an ECVAM validation study

(2012) Pilar Prieto et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Evaluation of model predictive ability by external validation techniques

(2010) Viviana Consonni et al.   JOURNAL OF CHEMOMETRICS

Comments on the Definition of theQ2Parameter for QSAR Validation

(2009) Viviana Consonni et al.   Journal of Chemical Information and Modeling