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Chemometrics and intelligent laboratory systems, ISSN 0169-7439, 05/2011, Volume 107, Issue 1, pp. 194 - 205
Quantitative structure-property relationship (QSPR) models are widely used for prediction of properties, activities and/or toxicities of new chemicals.... 
Validation | QSPR | QSAR | QSTR
Journal Article
2006, Methods and principles in medicinal chemistry, ISBN 3527310878, Volume 27, xviii, 307
This unique reference source, edited by the world's most respected expert on molecular interaction field software, covers all relevant principles of the GRID... 
Computer simulation | Chemical reactions | Biomolecules | Drug development | Physiological effect | Forecasting | Pharmaceutical chemistry | Chemicals | Structure-activity relationships (Biochemistry)
Book
2015, ISBN 0128015055, 494
Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative... 
QSAR (Biochemistry) | Structure-activity relationships (Biochemistry)
eBook
Journal of computational chemistry, ISSN 1096-987X, 01/2019, Volume 40, Issue 13, pp. 1374 - 1386
The two‐dimensional and three‐dimensional quantitative structure–property relationship (2D‐ and 3D‐QSPR) approaches are applied to investigate the catalytic... 
transition metal complex | catalytic performance | 2D‐QSPR | 3D‐QSPR | ethylene polymerization | 2D-QSPR | 3D-QSPR | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Melt temperature | Two dimensional models | Catalytic activity | Iron | Modelling | Mathematical models | Catalysis | Cobalt compounds | Coordination compounds | Three dimensional models | Cobalt | Molecular weight
Journal Article
Current topics in medicinal chemistry, ISSN 1568-0266, 2013, Volume 13, Issue 11, pp. 1317 - 1326
The blockage of the voltage dependent ion channel encoded by human ether-a-go-go related gene (hERG) may lead to drug-induced QT interval prolongation, which... 
Pharmacophore modeling | hERG | QSPR | QT prolongation | QSAR | Homology modeling | ADME/T | Molecular docking | Pharmacology & Pharmacy | Life Sciences & Biomedicine | Chemistry, Medicinal | Science & Technology
Journal Article
Combinatorial chemistry & high throughput screening, ISSN 1386-2073, 06/2011, Volume 14, Issue 5, pp. 307 - 327
Journal Article
Current Organic Chemistry, ISSN 1385-2728, 03/2015, Volume 19, Issue 4, pp. 348 - 358
The cut method is a powerful tool for the investigation of distance-based (and some other) molecular structure-descriptors. In this paper a survey on the... 
Distance Moment | Qspr/Qsar | Topological Index | Pi Index | Wiener Index | Cut Method | Isometric Embedding | Szeged Index | Partial Cube | Colored Wiener Index | Terminal Wiener Index | Physical Sciences | Chemistry | Chemistry, Organic | Science & Technology
Journal Article
Mini reviews in medicinal chemistry, ISSN 1389-5575, 2019, Volume 19, Issue 5, pp. 362 - 372
Detailed critical analysis of publications devoted to QSPR of aqueous solubility is presented in the review with discussion of four types of aqueous solubility... 
Methods and models | Molecular descriptors | QSPR | ADMET | Aqueous solubility | Thermodynamic | Pharmacology & Pharmacy | Life Sciences & Biomedicine | Chemistry, Medicinal | Science & Technology
Journal Article
Current pharmaceutical design, ISSN 1381-6128, 2010, Volume 16, Issue 24, pp. 2625 - 2639
Development of quantitative structure-activity relationships (QSARs) and quantitative structure-property relationships (QSPRs) has been practiced for... 
QSPR | ETA | QSAR | Toxicity | QSTR | TAU | VEM | Life Sciences & Biomedicine | Pharmacology & Pharmacy | Science & Technology | Models, Chemical | Risk Assessment | Models, Biological | Drug-Related Side Effects and Adverse Reactions | Humans | Structure-Activity Relationship | Forecasting | Quantitative Structure-Activity Relationship | Index Medicus
Journal Article
2012, RSC drug discovery series, ISBN 1849731675, Volume no. 20, x, 239
This book, aimed at academics, industrialists and post-graduates, documents the latest research into computer aided drug design. 
Drugs | Design | Computer simulation | General | Chemistry | Pharmacology | SCIENCE | MEDICAL
Book
Journal of mathematical chemistry, ISSN 1572-8897, 10/2018, Volume 57, Issue 1, pp. 343 - 369
We have computed distance-based topological indices of nanosheets, nanotubes and nanotori of $$\hbox {SiO}_2$$ SiO 2 which find potential applications in drug,... 
Theoretical and Computational Chemistry | Chemistry | Physical Chemistry | QSAR/QSPR | Silicon dioxide nanostructures | Drug delivery | Cut method | Math. Applications in Chemistry | Topological indices
Journal Article