QSAR modeling of toxicities of ionic liquids toward Staphylococcus aureus using SMILES and graph invariants
出版年份 2020 全文链接
标题
QSAR modeling of toxicities of ionic liquids toward Staphylococcus aureus using SMILES and graph invariants
作者
关键词
-
出版物
STRUCTURAL CHEMISTRY
Volume -, Issue -, Pages -
出版商
Springer Science and Business Media LLC
发表日期
2020-07-09
DOI
10.1007/s11224-020-01568-y
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注意：仅列出部分参考文献，下载原文获取全部文献信息。- QSAR as a random event: criteria of predictive potential for a chance model
- (2019) Andrey A. Toropov et al. STRUCTURAL CHEMISTRY
- Structure-activity relationship of the radical scavenging activities of some natural antioxidants based on the graph of atomic orbitals
- (2019) Shahin Ahmadi et al. JOURNAL OF MOLECULAR STRUCTURE
- The Correlation Contradictions Index (CCI): Building up reliable models of mutagenic potential of silver nanoparticles under different conditions using quasi-SMILES
- (2019) Andrey A. Toropov et al. SCIENCE OF THE TOTAL ENVIRONMENT
- Design and fabrication of an electrochemical aptasensor using Au nanoparticles/carbon nanoparticles/cellulose nanofibers nanocomposite for rapid and sensitive detection of Staphylococcus aureus
- (2018) Saba Ranjbar et al. BIOELECTROCHEMISTRY
- Study of the antimicrobial activity of cyclic cation-based ionic liquids via experimental and group contribution QSAR model
- (2018) Ouahid Ben Ghanem et al. CHEMOSPHERE
- QSAR models for describing the toxicological effects of ILs against Staphylococcus aureus based on norm indexes
- (2018) Wensi He et al. CHEMOSPHERE
- QSAR models for describing the toxicological effects of ILs against Candida albicans based on norm indexes
- (2018) Fangyou Yan et al. CHEMOSPHERE
- Quasi-SMILES: quantitative structure–activity relationships to predict anticancer activity
- (2018) Alla P. Toropova et al. MOLECULAR DIVERSITY
- Prediction of chalcone derivative cytotoxicity activity against MCF-7 human breast cancer cell by Monte Carlo method
- (2018) Shahin Ahmadi et al. JOURNAL OF MOLECULAR STRUCTURE
- Modelling for antimicrobial activities of ionic liquids towards Escherichia coli, Staphylococcus aureus and Candida albicans using linear free energy relationship descriptors
- (2016) Chul-Woong Cho et al. JOURNAL OF HAZARDOUS MATERIALS
- Antimicrobial activity and cytotoxicity of piperazinium- and guanidinium-based ionic liquids
- (2016) Jing Yu et al. JOURNAL OF HAZARDOUS MATERIALS
- Antibacterial and anti-adhesive properties of ionic liquids with various cationic and anionic heads toward pathogenic bacteria
- (2016) Sanam Anvari et al. JOURNAL OF MOLECULAR LIQUIDS
- Synthesis and properties of gallate ionic liquids
- (2016) Kamil Czerniak et al. TETRAHEDRON
- Comprehensive approach for predicting toxicological effects of ionic liquids on several biological systems using unified descriptors
- (2016) Chul-Woong Cho et al. Scientific Reports
- Cytotoxicity towards CCO cells of imidazolium ionic liquids with functionalized side chains: Preliminary QSTR modeling using regression and classification based approaches
- (2015) Marina Cvjetko Bubalo et al. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY
- Interspecies quantitative structure–toxicity–toxicity (QSTTR) relationship modeling of ionic liquids. Toxicity of ionic liquids to V. fischeri, D. magna and S. vacuolatus
- (2015) Rudra Narayan Das et al. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY
- Predicting the ecotoxicity of ionic liquids towards Vibrio fischeri using genetic function approximation and least squares support vector machine
- (2015) Shuying Ma et al. JOURNAL OF HAZARDOUS MATERIALS
- Predicting the cytotoxicity of ionic liquids using QSAR model based on SMILES optimal descriptors
- (2015) Abdolmohammad Ghaedi JOURNAL OF MOLECULAR LIQUIDS
- Predictive QSAR modelling of algal toxicity of ionic liquids and its interspecies correlation with Daphnia toxicity
- (2014) Kunal Roy et al. ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
- QSAR models for HEPT derivates as NNRTI inhibitors based on Monte Carlo method
- (2014) Alla P. Toropova et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Toxicity of ionic liquids: Database and prediction via quantitative structure–activity relationship method
- (2014) Yongsheng Zhao et al. JOURNAL OF HAZARDOUS MATERIALS
- CORAL: predictions of retention indices of volatiles in cooking rice using representation of the molecular structure obtained by combination of SMILES and graph approaches
- (2014) Mohammad H. Fatemi et al. Journal of the Iranian Chemical Society
- Antibacterial and antiadhesive properties of butyl-methylimidazolium ionic liquids toward pathogenic bacteria
- (2014) Hamidreza Hajfarajollah et al. RSC Advances
- CORAL software: Prediction of carcinogenicity of drugs by means of the Monte Carlo method
- (2013) Alla P. Toropova et al. EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES
- Correlating the structure and composition of ionic liquids with their toxicity on Vibrio fischeri: A systematic study
- (2012) Sylvie Viboud et al. JOURNAL OF HAZARDOUS MATERIALS
- CORAL: Predictions of rate constants of hydroxyl radical reaction using representation of the molecular structure obtained by combination of SMILES and Graph approaches
- (2011) A.A. Toropov et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- CORAL: QSAR modeling of toxicity of organic chemicals towards Daphnia magna
- (2011) A.P. Toropova et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Cytotoxicity estimation of ionic liquids based on their effective structural features
- (2011) Mohammad H. Fatemi et al. CHEMOSPHERE
- Synthesis, toxicity, biodegradability and physicochemical properties of 4-benzyl-4-methylmorpholinium-based ionic liquids
- (2011) Juliusz Pernak et al. GREEN CHEMISTRY
- Efficient production of glycyrrhetic acid 3-O-mono-β-d-glucuronide by whole-cell biocatalysis in an ionic liquid/buffer biphasic system
- (2011) Jin-Yan Chen et al. PROCESS BIOCHEMISTRY
- Antimicrobial and surface activity of 1-alkyl-3-methylimidazolium derivatives
- (2010) Justyna Łuczak et al. GREEN CHEMISTRY
- Self-aggregation and antimicrobial activity of imidazolium and pyridinium based ionic liquids in aqueous solution
- (2010) Anna Cornellas et al. JOURNAL OF COLLOID AND INTERFACE SCIENCE
- Imidazolium ionic liquids containing selenium: synthesis and antimicrobial activity
- (2010) Eduardo E. Alberto et al. ORGANIC & BIOMOLECULAR CHEMISTRY
- Biodegradable, non-bactericidal oxygen-functionalised imidazolium esters: A step towards ‘greener’ ionic liquids
- (2009) Saibh Morrissey et al. GREEN CHEMISTRY
- Comments on the Definition of theQ2Parameter for QSAR Validation
- (2009) Viviana Consonni et al. Journal of Chemical Information and Modeling
- Long-Alkyl-Chain Quaternary Ammonium Lactate Based Ionic Liquids
- (2008) Jacek Cybulski et al. CHEMISTRY-A EUROPEAN JOURNAL
- Quantitative Structure–Property Relationship Studies on Ostwald Solubility and Partition Coefficients of Organic Solutes in Ionic Liquids
- (2008) Alan R. Katritzky et al. JOURNAL OF CHEMICAL AND ENGINEERING DATA
- QSPR correlation for conductivities and viscosities of low-temperature melting ionic liquids
- (2008) Riccardo Bini et al. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
- Ionic liquids with dual biological function: sweet and anti-microbial, hydrophobic quaternary ammonium-based salts
- (2008) Whitney L. Hough-Troutman et al. NEW JOURNAL OF CHEMISTRY
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