Works matching DE "QSAR models"

Results: 2275

Uptake and localization mechanisms of fluorescent and colored lipid probes. Part 3. Protocols for predicting intracellular localization of lipid probes using QSAR models.

Published in:

Biotechnic & Histochemistry, 2015, v. 90, n. 4, p. 255, doi. 10.3109/10520295.2015.1006680

By:

Horobin, Rw;
Stockert, Jc;
Rashid-Doubell, F

Publication type:

Article

Uptake and localization mechanisms of fluorescent and colored lipid probes. Part 2. QSAR models that predict localization of fluorescent probes used to identify ('specifically stain') various biomembranes and membranous organelles.

Published in:

Biotechnic & Histochemistry, 2015, v. 90, n. 4, p. 241, doi. 10.3109/10520295.2015.1005129

By:

Horobin, Rw;
Stockert, Jc;
Rashid-Doubell, F

Publication type:

Article

Development of a quantitative structure activity relations (QSAR) model to guide the design of fluorescent dyes for detecting amyloid fibrils.

Published in:

Biotechnic & Histochemistry, 2014, v. 89, n. 1, p. 1, doi. 10.3109/10520295.2013.785593

By:

Inshyn, DI;
Kovalska, VB;
Losytskyy, MY;
Slominskii, YL;
Tolmachev, OI;
Yarmoluk, SM

Publication type:

Article

Predicting small molecule fluorescent probe localization in living cells using QSAR modeling. 1. Overview and models for probes of structure, properties and function in single cells.

Published in:

Biotechnic & Histochemistry, 2013, v. 88, n. 8, p. 440, doi. 10.3109/10520295.2013.780634

By:

Horobin, RW;
Rashid-Doubell, F;
Pediani, JD;
Milligan, G

Publication type:

Article

Predicting small molecule fluorescent probe localization in living cells using QSAR modeling. 2. Specifying probe, protocol and cell factors; selecting QSAR models; predicting entry and localization.

Published in:

Biotechnic & Histochemistry, 2013, v. 88, n. 8, p. 461, doi. 10.3109/10520295.2013.780635

By:

Horobin, RW;
Rashid-Doubell, F

Publication type:

Article

Alternative methods for estimating common descriptors for QSAR studies of dyes and fluorescent probes using molecular modeling software: 1. Concepts and procedures.

Published in:

Biotechnic & Histochemistry, 2013, v. 88, n. 8, p. 477, doi. 10.3109/10520295.2013.811286

By:

Dapson, Richard W

Publication type:

Article

Alternative methods for estimating common descriptors for QSAR studies of dyes and fluorescent probes using molecular modeling software. 2. Correlations between log P and the hydrophilic/lipophilic index, and new methods for estimating degrees of amphiphilicity

Published in:

Biotechnic & Histochemistry, 2013, v. 88, n. 8, p. 489, doi. 10.3109/10520295.2013.811287

By:

Dapson, Richard W;
Horobin, Richard W

Publication type:

Article

Predicting and avoiding subcellular compartmentalization artifacts arising from acetoxymethyl ester calcium imaging probes. The case of fluo-3 AM and a general account of the phenomenon including a problem avoidance chart.

Published in:

Biotechnic & Histochemistry, 2012, v. 87, n. 7, p. 468, doi. 10.3109/10520295.2012.703691

By:

Thompson, K;
Dockery, P;
Horobin, RW

Publication type:

Article

Uptake and localization mechanisms of fluorescent and colored lipid probes. 1. Physicochemistry of probe uptake and localization, and the use of QSAR models for selectivity prediction.

Published in:

Biotechnic & Histochemistry, 2011, v. 86, n. 6, p. 379, doi. 10.3109/10520295.2010.515489

By:

Horobin, RW;
Stockert, JC

Publication type:

Article

Novel fluorescent trimethine cyanine dye 7519 for amyloid fibril inhibition assay.

Published in:

Biotechnic & Histochemistry, 2011, v. 86, n. 3, p. 188, doi. 10.3109/10520291003648466

By:

Volkova, KD;
Kovalska, VB;
Inshin, D;
Slominskii, YL;
Tolmachev, OI;
Yarmoluk, SM

Publication type:

Article

Identifying apoptotic cells with the 3-hydroxyflavone derivative F2N12S, a ratiometric fluorescent small molecule probe selective for plasma membranes: a possible general mechanism for selective uptake into apoptotic cells.

Published in:

Biotechnic & Histochemistry, 2011, v. 86, n. 4, p. 255, doi. 10.3109/10520291003723426

By:

Hope-Roberts, M;
Horobin, RW;
Wainwright, M

Publication type:

Article

QSAR modeling and transmission electron microscopy stereology of altered mitochondrial ultrastructure of white blood cells in patients diagnosed as schizophrenic and treated with antipsychotic drugs.

Published in:

Biotechnic & Histochemistry, 2005, v. 80, n. 3/4, p. 133, doi. 10.1080/10520290500303349

By:

Inuwa, IM;
Peet, M;
Williams, MA

Publication type:

Article

Mastering the Art of QSAR.

Published in:

Bio-IT World, 2006, v. 5, n. 6, p. 34

By:

Russell, John

Publication type:

Article

Meta-QSAR: a large-scale application of meta-learning to drug design and discovery.

Published in:

Machine Learning, 2018, v. 107, n. 1, p. 285, doi. 10.1007/s10994-017-5685-x

By:

Olier, Ivan;
Sadawi, Noureddin;
Bickerton, G. Richard;
Vanschoren, Joaquin;
Grosan, Crina;
Soldatova, Larisa;
King, Ross D.

Publication type:

Article

Toxicity assessment of common organic solvents using a biosensor based on algal photosynthetic activity measurement.

Published in:

Journal of Applied Phycology, 2009, v. 21, n. 6, p. 683, doi. 10.1007/s10811-009-9401-5

By:

Chul-Woong Cho;
Thi Pham;
Sok Kim;
Young-Ran Kim;
You-Chul Jeon

Publication type:

Article

Influence of metal ionic characteristics on their biosorption capacity by Saccharomyces cerevisiae.

Published in:

Applied Microbiology & Biotechnology, 2007, v. 74, n. 4, p. 911, doi. 10.1007/s00253-006-0739-1

By:

Can Chen;
Jianlong Wang

Publication type:

Article

Characterization of antimicrobial and hemolytic properties of short synthetic cationic lipopeptides based on QSAR/QSTR approach.

Published in:

Amino Acids, 2018, v. 50, n. 3/4, p. 479, doi. 10.1007/s00726-017-2530-2

By:

Greber, Katarzyna E.;
Ciura, Krzesimir;
Belka, Mariusz;
Kawczak, Piotr;
Nowakowska, Joanna;
Bączek, Tomasz;
Sawicki, Wiesław

Publication type:

Article

A pipeline for improved QSAR analysis of peptides: physiochemical property parameter selection via BMSF, near-neighbor sample selection via semivariogram, and weighted SVR regression and prediction.

Published in:

Amino Acids, 2014, v. 46, n. 4, p. 1105, doi. 10.1007/s00726-014-1667-5

By:

Dai, Zhijun;
Wang, Lifeng;
Chen, Yuan;
Wang, Haiyan;
Bai, Lianyang;
Yuan, Zheming

Publication type:

Article

Quantitative structure-activity relationship modeling of renin-inhibiting dipeptides.

Published in:

Amino Acids, 2012, v. 42, n. 4, p. 1379, doi. 10.1007/s00726-011-0833-2

By:

Udenigwe, Chibuike;
Li, Huan;
Aluko, Rotimi

Publication type:

Article

Novel amino acids indices based on quantum topological molecular similarity and their application to QSAR study of peptides.

Published in:

Amino Acids, 2011, v. 40, n. 4, p. 1169, doi. 10.1007/s00726-010-0741-x

By:

Hemmateenejad, Bahram;
Yousefinejad, Saeed;
Mehdipour, Ahmad

Publication type:

Article

Why OppA protein can bind sequence-independent peptides? A combination of QM/MM, PB/SA, and structure-based QSAR analyses.

Published in:

Amino Acids, 2011, v. 40, n. 2, p. 493, doi. 10.1007/s00726-010-0661-9

By:

Tian, Feifei;
Yang, Li;
Lv, Fenglin;
Luo, Xiaoli;
Pan, Yuzhu

Publication type:

Article

Computational structure–activity study directs synthesis of novel antitumor enkephalin analogs.

Published in:

Amino Acids, 2010, v. 38, n. 4, p. 1185, doi. 10.1007/s00726-009-0329-5

By:

Gredičak, M.;
Supek, A F.;
Kralj, M.;
Majer, Z.;
Hollósi, M.;
Šmuc, T.;
Mlinarić-Majerski, K.;
Horvat, Š.

Publication type:

Article

Gaussian process: an alternative approach for QSAM modeling of peptides.

Published in:

Amino Acids, 2010, v. 38, n. 1, p. 199, doi. 10.1007/s00726-008-0228-1

By:

Peng Zhou;
Xiang Chen;
Yuqian Wu;
Zhicai Shang

Publication type:

Article

In silico quantitative prediction of peptides binding affinity to human MHC molecule: an intuitive quantitative structure–activity relationship approach.

Published in:

Amino Acids, 2009, v. 36, n. 3, p. 535

By:

L. Yang;
F. Lv;
Q. Yang;
P. Zhou

Publication type:

Article

Binding specificity of the <span style="font-variant:small-caps">l</span> -arginine transport systems in mouse macrophages and human cells overexpressing the cationic amino acid transporter hCAT-1.

Published in:

Amino Acids, 2009, v. 36, n. 3, p. 483

By:

Dániel Erős;
László Őrfi;
Ildikó Csuka;
András Hrabák

Publication type:

Article

Identification of first-in-class plasmodium OTU inhibitors with potent anti-malarial activity.

Published in:

Biochemical Journal, 2021, v. 478, n. 18, p. 3445, doi. 10.1042/BCJ20210481

By:

Siyah, Pinar;
Akgol, Sezer;
Durdagi, Serdar;
Kocabas, Fatih

Publication type:

Article

An automated tool for obtaining QSAR-ready series of compounds using semantic web technologies.

Published in:

Bioinformatics, 2018, v. 34, n. 1, p. 131, doi. 10.1093/bioinformatics/btx566

By:

López-Massaguer, Oriol;
Sanz, Ferran;
Pastor, Manuel

Publication type:

Article

SEABED: Small molEcule activity scanner weB servicE baseD.

Published in:

Bioinformatics, 2015, v. 31, n. 5, p. 773, doi. 10.1093/bioinformatics/btu709

By:

Fenollosa, Carlos;
Otón, Marcel;
Andrio, Pau;
Cortés, Jorge;
Orozco, Modesto;
Goñi, J. Ramon

Publication type:

Article

Linear Regression Models and Adequacy Parameters for Scattered Data with Outliers.

Published in:

Methods & Objects of Chemical Analysis / Metody & Obekty Himičeskogo Analiza, 2024, v. 19, n. 3, p. 123, doi. 10.17721/moca.2024.123-131

By:

Panteleimonov, A. V.;
Anokhin, D. O.;
Zakharov, A. B.;
Khristenko, I. V.;
Korobov, A. I.;
Ivanov, V. V.

Publication type:

Article

Prediction of the Ability of PAHs to be Photocytotoxic to a Cell Line from the Rainbow Trout (Oncorhynchus mykiss) Gill.

Published in:

Bulletin of Environmental Contamination & Toxicology, 2004, v. 73, n. 4, p. 659, doi. 10.1007/s00128-004-0477-y

By:

Niu, J.F.;
Yu, G.

Publication type:

Article

QSAR for Prediction of Joint Toxicity of Substituted Phenols to Tadpoles (Rana japonica).

Published in:

Bulletin of Environmental Contamination & Toxicology, 2003, v. 71, n. 6, p. 1124, doi. 10.1007/s00128-003-8790-4

By:

Huang, H.;
Wang, X.;
Shao, Y.;
Chen, D.;
Dai, X.;
Wang, L.

Publication type:

Article

QSARs for Predicting the Toxicity of Mixtures Containing Polar Narcotic Chemicals.

Published in:

Bulletin of Environmental Contamination & Toxicology, 2003, v. 71, n. 6, p. 1116, doi. 10.1007/s00128-003-8764-6

By:

Lin, Z.;
Yin, K.;
Wu, C.;
Wang, L.;
Yu, H.

Publication type:

Article

Limitations of a Cosolvent for Ecotoxicity Testing of Hydrophobic Compounds.

Published in:

Bulletin of Environmental Contamination & Toxicology, 2003, v. 70, n. 1, p. 0001, doi. 10.1007/s00128-002-0148-9

By:

Bundy, J. G.;
Maciel, H.;
Cronin, M. T. D.;
Paton, G. I.

Publication type:

Article

Response-Surface Analysis for the Inhibition Toxicity of Benzene Derivatives to Yeast Saccharomyces cerevisiae.

Published in:

Bulletin of Environmental Contamination & Toxicology, 2002, v. 69, n. 2, p. 278, doi. 10.1007/s00128-002-0058-x

By:

Wang, X.;
Wang, Y.;
Dai, X.;
Wang, L.;
Han, S.

Publication type:

Article

Comparative Inhibition and Quantitative Structure–Activity Relationships (QSARs) of Substituted Phenols to Germination Rate of Cucumis sativus.

Published in:

Bulletin of Environmental Contamination & Toxicology, 2002, v. 68, n. 2, p. 187, doi. 10.1007/s00128-001-0237-1

By:

Wang, X.;
Yang, X.;
Wang, Y.;
Wang, L.;
Han, S.

Publication type:

Article

Quantitative Structure–Property Relationships for Octanol-Air Partition Coefficients of PCDD/Fs.

Published in:

Bulletin of Environmental Contamination & Toxicology, 2001, v. 66, n. 6, p. 755, doi. 10.1007/s00128-001-0073-3

By:

Chen, J. W.;
Quan, X.;
Zhao, Y. Z.;
Yang, F. L.;
Schramm, K.-W.;
Kettrup, A.

Publication type:

Article

Quantitative Structure–Toxicity Relationships for Derivates of Benzanilides to Daphnia magna.

Published in:

Bulletin of Environmental Contamination & Toxicology, 2000, v. 65, n. 3, p. 366, doi. 10.1007/s0012800137

By:

Dai, J.;
Wang, L.

Publication type:

Article

Quantitative Structure-Activity Relationships for the Toxicity to the Tadpole Rana japonica of Selected Phenols.

Published in:

Bulletin of Environmental Contamination & Toxicology, 2000, v. 64, n. 6, p. 859, doi. 10.1007/s001280000082

By:

Wang, X.;
Dong, Y.;
Xu, S.;
Wang, L.;
Han, S.

Publication type:

Article

Prediction and QSAR Analysis of Toxicity to Photobacterium phosphoreum for a Group of Heterocyclic Nitrogen Compounds.

Published in:

Bulletin of Environmental Contamination & Toxicology, 2000, v. 64, n. 3, p. 316, doi. 10.1007/s001280000002

By:

Xu, S.;
Li, L.;
Tan, Y.;
Feng, J.;
Wei, Z.;
Wang, L.

Publication type:

Article

QSAR for Polychlorinated Organic Compounds (PCOCs). I. Prediction of Partition Properties for PCOCs Using Quantum Chemical Parameters.

Published in:

Bulletin of Environmental Contamination & Toxicology, 1999, v. 62, n. 5, p. 530, doi. 10.1007/s001289900908

By:

Dai, J.;
Sun, C.;
Han, S.;
Wang, L.

Publication type:

Article

Toxicity to Daphnia pulex and QSAR Predictions for Polycyclic Hydrocarbons Representative of Great Lakes Contaminants.

Published in:

Bulletin of Environmental Contamination & Toxicology, 1997, v. 59, n. 5, p. 834, doi. 10.1007/s001289900557

By:

Passino-Reader, D. R.;
Hickey, J. P.;
Ogilvie, L. M.

Publication type:

Article

Quantitative Structure–Activity Relationship Study for Toxicity of Organotin Compounds on Algae.

Published in:

Bulletin of Environmental Contamination & Toxicology, 1997, v. 58, n. 2, p. 299, doi. 10.1007/s001289900334

By:

Huang, G.;
Sun, H.;
Dai, S.

Publication type:

Article

QSAR Study of the Toxicity of Nitrobenzenes to River Bacteria and Photobacterium phosphoreum.

Published in:

Bulletin of Environmental Contamination & Toxicology, 1997, v. 58, n. 1, p. 123, doi. 10.1007/s001289900309

By:

Yuan, X.;
Lu, G.;
Lang, P.

Publication type:

Article

Quantitative Structure-Activity Relationships of Organic Acids and Bases.

Published in:

Bulletin of Environmental Contamination & Toxicology, 1996, v. 57, n. 2, p. 242, doi. 10.1007/s001289900182

By:

Zhao, Y.-H.;
Yuan, X.;
Yang, L.-H.;
Wang, L.-S.

Publication type:

Article

Applications of Frontier Molecular Orbital Energies in QSAR Studies.

Published in:

Bulletin of Environmental Contamination & Toxicology, 1996, v. 56, n. 5, p. 758, doi. 10.1007/s001289900111

By:

Huang, Q.;
Kong, L.;
Wang, L.

Publication type:

Article

Reverse-phase high performance liquid chromatography and linear solvation energy relationship for studies of alkyl (1-phenylsulfonyl) cycloalkane-carboxylates.

Published in:

Bulletin of Environmental Contamination & Toxicology, 1995, v. 55, n. 5, p. 635, doi. 10.1007/BF00203747

By:

He, Y.;
Zhu, J.;
Wang, L.;
Zhang, Z.

Publication type:

Article

Toxicity and QSAR of chlorobenzenes in two species of benthic flatfish, flounder ( Platichthys flesus L.) and sole ( Solea solea L.).

Published in:

Bulletin of Environmental Contamination & Toxicology, 1995, v. 54, n. 1, p. 36, doi. 10.1007/BF00196267

By:

Furay, V.;
Smith, S.

Publication type:

Article

Structure-toxicity relationships for nonpolar narcotics: A comparison of data from the tetrahymena, photobacterium and pimephales systems.

Published in:

Bulletin of Environmental Contamination & Toxicology, 1990, v. 44, n. 1, p. 67, doi. 10.1007/BF01702363

By:

Wayne Schultz, T.;
Wyatt, Norris;
Lin, David

Publication type:

Article

Structure-toxicity relationships for mono alkyl- or halogen-substituted anilines.

Published in:

Bulletin of Environmental Contamination & Toxicology, 1989, v. 43, n. 4, p. 564, doi. 10.1007/BF01701936

By:

Schultz, T.;
Cajina-Quezada, Mariely;
Wesley, Sonji

Publication type:

Article

Acute toxicity and behavioral effects of acrylates and methacrylates to juvenile fathead minnows.

Published in:

Bulletin of Environmental Contamination & Toxicology, 1988, v. 41, n. 4-6, p. 589, doi. 10.1007/BF02021005

By:

Russom, C.;
Drummond, R.;
Huffman, A.

Publication type:

Article