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Quantitative drug design
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Conformational analysis of synthetic neolignans active against leishmaniasis, using the molecular mechanics method (MM2)
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Molecular Modeling
inferred← citeshttps://doi.org/10.1002/0471238961.1315120516181506.a01.pub3openalex-snapshot
Molecular Modeling
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Pharmacodynamics
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History of Quantitative Structure‐Activity Relationships
inferred← citeshttps://doi.org/10.1002/9780470125793.ch10openalex-snapshot
The Electron‐Topological Approach to the QSAR Problem
inferred← citeshttps://doi.org/10.1002/9780470125885.ch4openalex-snapshot
Approaches to Three‐Dimensional Quantitative Structure‐Activity Relationships
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Treatment of Steric Effects
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Basicity, H‐bonding, tautomerism and complex formation of imidic acid derivatives
inferred← citeshttps://doi.org/10.1002/9783527613083.ch5openalex-snapshot
Modelling Structure‐Activity Relationships
inferred← citeshttps://doi.org/10.1002/9783527614998.ch17openalex-snapshot
Membrane Transport and Cellular Distribution
inferred← citeshttps://doi.org/10.1002/9783527614998.ch19openalex-snapshot
Environmental Hazard Assessment Using Lipophilicity Data
inferred← citeshttps://doi.org/10.1002/9783527614998.ch8openalex-snapshot
Estimation of Lipophilicity by Reversed‐Phase Thin‐Layer Chromatography
inferred← citeshttps://doi.org/10.1002/9783527615452.ch3openalex-snapshot
Experimental Design in Synthesis Planning and Structure‐Property Correlations
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A History of Chemoinformatics
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Structural and Toxic Mechanism‐Based Approaches to Designing Safer Chemicals
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Development of a Model to Predict Partition Coefficient of Organic Pollutants in Cloud Point Extraction Process
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Microencapsulation of proteins by rapid expansion of supercritical solution with a nonsolvent
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Pharmachemie im Wandel – Probleme und Chancen
inferred← citeshttps://doi.org/10.1002/ange.19820940705openalex-snapshot
Konformation und biologische Wirkung von cyclischen Peptiden
inferred← citeshttps://doi.org/10.1002/ange.19870990506openalex-snapshot
Computergestütztes Moleküldesign (CAMD) – ein Überblick
inferred← citeshttps://doi.org/10.1002/anie.198007493openalex-snapshot
Pharmaceutical Chemistry Today—Changes, Problems, and Opportunities
inferred← citeshttps://doi.org/10.1002/anie.198205121openalex-snapshot
Conformation and Biological Activity of Cyclic Peptides
inferred← citeshttps://doi.org/10.1002/anie.198704031openalex-snapshot
Computer‐Assisted Molecular Design (CAMD)—An Overview
inferred← citeshttps://doi.org/10.1002/aoc.590080504openalex-snapshot
Structure–Activity relationships of effect of aryltin compounds onCeratocystis ulmi
inferred← citeshttps://doi.org/10.1002/app.12201openalex-snapshot
Formation of microcapsules of medicines by the rapid expansion of a supercritical solution with a nonsolvent
inferred← citeshttps://doi.org/10.1002/bimj.19830250610openalex-snapshot
The MASCA Approach Applied to Break Multicollinearities in Quantitative Structure‐Activity Relationships
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A PLS kernel algorithm for data sets with many variables and fewer objects. Part 1: Theory and algorithm
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An introduction to decision tree modeling
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Chemometrics to chemical modeling: Novel molecular distance‐edge vector (λ) in alkanes and retention index of gas chromatography
inferred← citeshttps://doi.org/10.1002/ddr.430010403openalex-snapshot
The physicochemical approach to drug design and discovery (QSAR)
inferred← citeshttps://doi.org/10.1002/etc.5620030301openalex-snapshot
STRUCTURE-ACTIVITY RELATIONSHIP STUDIES ON THE TOXICITIES OF BENZENE DERIVATIVES: I. AN ADDITIVITY MODEL
inferred← citeshttps://doi.org/10.1002/etc.5620040303openalex-snapshot
QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS IN AQUATIC TOXICITY STUDIES OF CHEMICALS AND COMPLEX MIXTURES OF CHEMICALS
inferred← citeshttps://doi.org/10.1002/etc.5620040304openalex-snapshot
COMPARISON OF FISH TOXICITY SCREENING DATA FOR 55 ALCOHOLS WITH THE QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP PREDICTIONS OF MINIMUM TOXICITY FOR NONREACTIVE NONELECTROLYTE ORGANIC COMPOUNDS
inferred← citeshttps://doi.org/10.1002/etc.5620080101openalex-snapshot
Structure-Activity relationships in environmental toxicology and chemistry: Narcosis, electrophile and proelectrophile toxicity mechanisms: Application of SAR and QSAR
inferred← citeshttps://doi.org/10.1002/etc.5620110506openalex-snapshot
APPLICATION OF THE GROUP CONTRIBUTION METHOD FOR PREDICTING THE TOXICITY OF ORGANIC CHEMICALS
inferred← citeshttps://doi.org/10.1002/etc.5620180609openalex-snapshot
QUANTITATIVE STRUCTURE–PROPERTY RELATIONSHIPS FOR THE CHEMICAL REACTIVITY OF ACRYLATES AND METHACRYLATES
inferred← citeshttps://doi.org/10.1002/jps.2600670604openalex-snapshot
Structure–Activity Studies of Barbiturates Using Pattern Recognition Techniques
inferred← citeshttps://doi.org/10.1002/jps.2600690505openalex-snapshot
Quantitative structure–activity relationships in drug metabolism and disposition: Pharmacokinetics of N-substituted amphetamines in humans
inferred← citeshttps://doi.org/10.1002/jps.2600710122openalex-snapshot
Measurements of Ionization Constants and Partition Coefficients of Guanazole Prodrugs
inferred← citeshttps://doi.org/10.1002/jps.2600740210openalex-snapshot
Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues
inferred← citeshttps://doi.org/10.1002/jps.2600741013openalex-snapshot
Electrochemistry of Purine Derivatives 2: Correlation of Anodic Differential Pulse Peak Potentials with Hammett Substituent Constants
inferred← citeshttps://doi.org/10.1002/jps.2600750706openalex-snapshot
Water Soluble Complexes of the Antiviral Drugs, 9-[(1,3-Dihydroxy-2-propoxy)Methyl]guanine and Acyclovir: The Role of Hydrophobicity in Complex Formation
inferred← citeshttps://doi.org/10.1002/jps.2600780616openalex-snapshot
Inhibitors of Immune Complex-Induced Inflammation: 3-[1-(2-Benzoxazolyl)hydrazino]propanenitrile Derivatives
inferred← citeshttps://doi.org/10.1002/jps.2600790714openalex-snapshot
Quantitative Structure–Activity Relationships of Inhibitors of Immune Cornplex-Induced Inflammation: 1-Phenyl-3-aminopyrazoline Derivatives
inferred← citeshttps://doi.org/10.1002/jps.2600790806openalex-snapshot
Inhibitors of Immune Complex-Induced Inflammation: 5-Substituted 3-[1-(2-Benzoxazolyl)hydrazino]propanenitrile Derivatives
inferred← citeshttps://doi.org/10.1002/jps.2600810902openalex-snapshot
A time Hierarchy-Based Model for Kinetics of Drug Disposition and Its Use in Quantitative Structure—Activity Relationships
inferred← citeshttps://doi.org/10.1002/med.2610010403openalex-snapshot
Toxicological considerations for the medicinal chemist
inferred← citeshttps://doi.org/10.1002/med.2610020106openalex-snapshot
Theoretical approaches to drug design and biological activity: Critical comments to the use of mathematical methods applied to univariate and multivariate quantitative structure‐activity relationships (QSAR)
inferred← citeshttps://doi.org/10.1002/mrc.1270140604openalex-snapshot
Reversed substituent effect for the 13C NMR chemical shifts in the unsubstituted ring of para‐substituted benzophenones
inferred← citeshttps://doi.org/10.1002/ps.2780150106openalex-snapshot
Quantitative structure‐activity relationship studies of acute toxicity (LD50) in a large series of herbicidal benzimidazoles
inferred← citeshttps://doi.org/10.1002/ps.2780170312openalex-snapshot
Quantitative structure–activity relationships in aquatic toxicology
inferred← citeshttps://doi.org/10.1002/qsar.19820010102openalex-snapshot
A Comparison by QSAR, Crystallography, and Computer Graphics of the Inhibition of Various Dihydrofolate Reductases by 5‐(X‐Benzyl)‐2,4‐diamino‐pyrimidines
inferred← citeshttps://doi.org/10.1002/qsar.19830020405openalex-snapshot
Relationships between Octanol‐Water Partition Data, Chromatographic Indices and Their Dependence on pH in a Set of Nonsteroidal Anti‐Inflammatory Drugs
inferred← citeshttps://doi.org/10.1002/qsar.19850040205openalex-snapshot
Hansch Approach and Kinetics of Drug Activities
inferred← citeshttps://doi.org/10.1002/qsar.19860050303openalex-snapshot
Distribution Coefficients by Curve Fitting: Application to Ionogenic Nonsteroidal Antiinflammatory Drugs
inferred← citeshttps://doi.org/10.1002/qsar.19860050404openalex-snapshot
Electronic Structure and Serotonin Receptor Binding Affinity of 7‐Substituted Tryptamines QSAR of 7‐Substituted Tryptamines
inferred← citeshttps://doi.org/10.1002/qsar.19880070105openalex-snapshot
Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies
inferred← citeshttps://doi.org/10.1002/qsar.19890080207openalex-snapshot
Comparison of Fragment Weighting Schemes for Substructural Analysis
inferred← citeshttps://doi.org/10.1002/qsar.19900090304openalex-snapshot
A new Approach to Active‐Site Binding Analysis. Inhibitors of Acetylcholinesterase
inferred← citeshttps://doi.org/10.1002/qsar.19900090403openalex-snapshot
Further Comparative Studies of Fragment Weighting Schemes for Substructural Analysis
inferred← citeshttps://doi.org/10.1002/qsar.19920110202openalex-snapshot
3D‐Quantitative Structure‐Activity Relationships: Description of Electronic Effects Directly from 3D Structures Using a GRID‐Comparative Molecular Field Analysis (CoMFA) Approach
inferred← citeshttps://doi.org/10.1002/qsar.19920110207openalex-snapshot
A Study on pK and Partition Coefficient of Substituted Benzoic Acids in SDS Anionic Micellar System
inferred← citeshttps://doi.org/10.1002/qsar.19930120303openalex-snapshot
3D‐Quantitative Structure‐Activity Relationships: Describing Hydrophobic Interactions Directly from 3D Structures Using a Comparative Molecular Field Analysis (CoMFA) Approach
inferred← citeshttps://doi.org/10.1002/qsar.19940130106openalex-snapshot
A Classification Model for Allergic Contact Dermatitis
inferred← citeshttps://doi.org/10.1002/qsar.19950140404openalex-snapshot
Free‐Wilson Discriminant Analysis of Antiarrhythmic Phenylpyridines Using PLS
inferred← citeshttps://doi.org/10.1002/qsar.200810092openalex-snapshot
QSAR Models for Prediction of PPARδ Agonistic Activity of Indanylacetic Acid Derivatives
inferred← citeshttps://doi.org/10.1002/qua.10797openalex-snapshot
Ab initio structural study of some substituted ibuprofen derivatives as possible anti‐inflammatory agents
inferred← citeshttps://doi.org/10.1002/qua.560200113openalex-snapshot
Mode of action and quantitative structure–activity relationship of sulfonamides in biological systems of different complexity (enzymes, bacteria, rat, and human)
inferred← citeshttps://doi.org/10.1002/qua.560280402openalex-snapshot
Quantum‐chemical study of the relation between electronic structure and pA2 in a series of 5‐substituted tryptamines
inferred← citeshttps://doi.org/10.1002/qua.560340724openalex-snapshot
A rational selection of graph-theoretical indices in the QSAR
inferred← citeshttps://doi.org/10.1002/qua.560430202openalex-snapshot
The application of the graph‐theoretical method in the QSAR scheme: Possibilities and limits
inferred← citeshttps://doi.org/10.1002/qua.560440210openalex-snapshot
Empirical methods for computing molecular partition coefficients: II. Inclusion of conformational flexibility within fragment–based approaches
inferred← citeshttps://doi.org/10.1002/qua.959openalex-snapshot
Gilda H. Loew, Ph.D. list of publications
inferred← citeshttps://doi.org/10.1007/0-306-46858-1_1openalex-snapshot
3D QSAR: Current State, Scope, and Limitations
inferred← citeshttps://doi.org/10.1007/978-1-4615-8831-3_9openalex-snapshot
Recent Advances in Biochemical QSAR
inferred← citeshttps://doi.org/10.1007/978-1-59259-032-2_27openalex-snapshot
Rational Drug Discovery and the Impact of New, Advanced Technologies
inferred← citeshttps://doi.org/10.1007/978-3-0348-7105-1_5openalex-snapshot
Lipophilicity and drug activity
inferred← citeshttps://doi.org/10.1007/978-3-0348-7105-1_6openalex-snapshot
Quantitative structure-activity relationships
inferred← citeshttps://doi.org/10.1007/978-3-0348-7997-2_13openalex-snapshot
Computer-aided prediction of drug toxicity and metabolism
inferred← citeshttps://doi.org/10.1007/978-3-319-56850-8_9openalex-snapshot
QSAR/QSPR Modeling in the Design of Drug Candidates with Balanced Pharmacodynamic and Pharmacokinetic Properties
inferred← citeshttps://doi.org/10.1007/978-3-540-46161-6_3openalex-snapshot
Quantitative Structure-Activity Relationships of Environmental Pollutants
inferred← citeshttps://doi.org/10.1007/978-3-642-66626-1_4openalex-snapshot
Three-Dimensional Pharmacophoric Pattern Searching
inferred← citeshttps://doi.org/10.1007/978-3-662-68998-1_18openalex-snapshot
Quantitative Structure–Activity Relationships
inferred← citeshttps://doi.org/10.1007/978-3-662-68998-1_19openalex-snapshot
From In Vitro to In Vivo: Optimization of ADME and Toxicology Properties
inferred← citeshttps://doi.org/10.1007/978-3-8274-2213-2_20openalex-snapshot
Von in vitro zu in vivo: Optimierung von ADME-Tox-Eigenschaften
inferred← citeshttps://doi.org/10.1007/978-94-009-1173-4_10openalex-snapshot
Modeling the Drug-Receptor Interaction in Quantum Pharmacology
inferred← citeshttps://doi.org/10.1007/978-94-009-4660-6_50openalex-snapshot
Quantitative Structure-Activity Relationships in Aquatic Toxicology
inferred← citeshttps://doi.org/10.1007/978-94-011-1350-2_12openalex-snapshot
Comparative molecular field analysis (CoMFA)
inferred← citeshttps://doi.org/10.1007/978-94-011-1472-1_140openalex-snapshot
MLR and PLS: A comparison of the techniques applied to the QSAR analysis of a series of structurally diverse biologically active compounds
inferred← citeshttps://doi.org/10.1007/978-94-011-1472-1_72openalex-snapshot
Incorporation of elimination can improve the pseudo-equilibrium description of bioactivity-hydrophobicity-acidity profiles
inferred← citeshttps://doi.org/10.1007/bf00117403openalex-snapshot
Experimental design based 3-D QSAR analysis of steroid-protein interactions: Application to human CBG complexes
inferred← citeshttps://doi.org/10.1007/bf00125325openalex-snapshot
A PLS QSAR analysis using 3D generated aromatic descriptors of principal property type: Application to some dopamine D2 benzamide antagonists
inferred← citeshttps://doi.org/10.1007/bf00125664openalex-snapshot
The structure-activity relationship of inhibitors of serotonin uptake and receptor binding
inferred← citeshttps://doi.org/10.1007/bf00135318openalex-snapshot
A machine learning approach to computer-aided molecular design
inferred← citeshttps://doi.org/10.1007/bf00215795openalex-snapshot
Model-based QSAR for ionizable compounds: Toxicity of phenols against Tetrahymena pyriformis
inferred← citeshttps://doi.org/10.1007/bf00374078openalex-snapshot
A local lymph-node assay validation study of a structure-activity relationship model for contact allergens
inferred← citeshttps://doi.org/10.1007/bf00442002openalex-snapshot
Comparison of the behavioral effects of adenosine agonists and dopamine antagonists in mice
inferred← citeshttps://doi.org/10.1007/bf00772180openalex-snapshot
Quantitative structure-activity relationships. Nonadditive increments in the Free-Wilson model
inferred← citeshttps://doi.org/10.1007/bf00773108openalex-snapshot
Method for selecting topological and topographical descriptors of the biological activity of chemical compounds
inferred← citeshttps://doi.org/10.1007/bf00777989openalex-snapshot
Statistical analysis of data file on biologically active compounds II. Prediction of biological activity by substructure analysis method
inferred← citeshttps://doi.org/10.1007/bf00781045openalex-snapshot
Study of the relationship between the structure and the biological activity during discrete expression of the biological action I. Description of method
inferred← citeshttps://doi.org/10.1007/bf01004020openalex-snapshot
Quantum-chemical Structure-Activity Relationships in carbamate insecticides
inferred← citeshttps://doi.org/10.1007/bf01677048openalex-snapshot
Distance geometry analysis of ligand binding to drug receptor sites
inferred← citeshttps://doi.org/10.1007/bf02174471openalex-snapshot
Accomplishments and challenges in integrating software for computer-aided ligand design in drug discovery
inferred← citeshttps://doi.org/10.1007/bf02174527openalex-snapshot
Some observations on classical QSAR
inferred← citeshttps://doi.org/10.1007/bf02255197openalex-snapshot
Applications of quantitative structure-activity relationships in aquatic toxicity studies of chemicals and mixtures of chemicals
inferred← citeshttps://doi.org/10.1007/bf02262851openalex-snapshot
Structure-activity study of antiepilepticN-aryl-isoxazolecarboxamides/N-isoxazolylbenzamide analogs using Wiener's topological index
inferred← citeshttps://doi.org/10.1007/bf02374339openalex-snapshot
Transformation chimique d'analogues du propyzamide sur supports solides: Argiles et complexes argilo-humiques
inferred← citeshttps://doi.org/10.1007/bf02884226openalex-snapshot
QSAR for biotoxication of aromatic compounds
inferred← citeshttps://doi.org/10.1007/bf02898762openalex-snapshot
Relationship between antifungal activity and hydrophobicity of kojic acid derivatives
inferred← citeshttps://doi.org/10.1007/bf03190206openalex-snapshot
Quantitative structure — pharmacokinetic relationship of a series of sulfonamides in the rat
inferred← citeshttps://doi.org/10.1007/bf03190271openalex-snapshot
An approach to QSAR of 16-substituted pregnenolones as microsomal enzyme inducers
inferred← citeshttps://doi.org/10.1007/bf03380186openalex-snapshot
Challenges and prospects for computational aids to molecular diversity
inferred← citeshttps://doi.org/10.1007/bfb0017039openalex-snapshot
Shift of bias in learning from drug compounds: The fleming project
inferred← citeshttps://doi.org/10.1007/bfb0111211openalex-snapshot
Features and problems of practical drug design
inferred← citeshttps://doi.org/10.1007/s00044-014-0920-5openalex-snapshot
Prediction of the anti-cancer activity of spiro derivatives of parthenin based on molecular modeling methods and docking
inferred← citeshttps://doi.org/10.1007/s10822-005-3321-5openalex-snapshot
An in silico approach for screening flavonoids as P-glycoprotein inhibitors based on a Bayesian-regularized neural network
inferred← citeshttps://doi.org/10.1007/s10822-006-9096-5openalex-snapshot
Evaluation of machine-learning methods for ligand-based virtual screening
inferred← citeshttps://doi.org/10.1007/s10822-019-00234-8openalex-snapshot
BRADSHAW: a system for automated molecular design
inferred← citeshttps://doi.org/10.1007/s11356-024-34016-zopenalex-snapshot
Development of an effective QSAR-based hazard threshold prediction model for the ecological risk assessment of aromatic hydrocarbon compounds
inferred← citeshttps://doi.org/10.1007/s12272-011-0909-2openalex-snapshot
Enhancement and mechanism of transdermal absorption of terpene-induced propranolol hydrochloride
inferred← citeshttps://doi.org/10.1007/s12539-015-0011-4openalex-snapshot
A Structure–Activity Relationship Study of Naphthoquinone Derivatives as Antitubercular Agents Using Molecular Modeling Techniques
inferred← citeshttps://doi.org/10.1007/s42250-021-00255-7openalex-snapshot
In Silico Studies of Oxadiazole Derivatives as Potent Dengue Virus Inhibitors
inferred← citeshttps://doi.org/10.1016/0003-9861(83)90349-1openalex-snapshot
The inhibition of alcohol dehydrogenase in vitro and in isolated hepatocytes by 4-substituted pyrazoles
inferred← citeshttps://doi.org/10.1016/0009-2797(88)90056-7openalex-snapshot
QSAR analysis of the subtilisin hydrolysis of X-phenyl hippurates. II. A study of subtilisin BPN′
inferred← citeshttps://doi.org/10.1016/0022-5193(79)90264-9openalex-snapshot
From retrospective to predictive structure activity correlations
inferred← citeshttps://doi.org/10.1016/0022-5193(82)90191-6openalex-snapshot
The structural dependence of amino acid hydrophobicity parameters
inferred← citeshttps://doi.org/10.1016/0027-5107(87)90301-0openalex-snapshot
Electronic factors and acridine frameshift mutagenicity — a pattern recognition study
inferred← citeshttps://doi.org/10.1016/0045-6535(81)90220-4openalex-snapshot
Etude des interactions avec le milieu de composes herbicides analogues du propyzamide en fonction de leur structure: Relation produit-plante
inferred← citeshttps://doi.org/10.1016/0045-6535(89)90511-0openalex-snapshot
Model-based relationship between the microbial transformation rate of organic chemicals and their physicochemical properties
inferred← citeshttps://doi.org/10.1016/0048-9697(91)90175-eopenalex-snapshot
Outliers: their origin and use in the classification of molecular mechanisms of toxicity
inferred← citeshttps://doi.org/10.1016/0048-9697(91)90176-fopenalex-snapshot
Complex factors in hydrocarbon/water, soil/water and fish/water partitioning
inferred← citeshttps://doi.org/10.1016/0076-6879(91)03031-bopenalex-snapshot
[29] Computer-assisted rational drug design
inferred← citeshttps://doi.org/10.1016/0147-6513(88)90030-9openalex-snapshot
Approaches to modeling toxic responses of aquatic organisms to aromatic hydrocarbons
inferred← citeshttps://doi.org/10.1016/0163-7258(81)90040-1openalex-snapshot
Quantitative structure-pharmacokinetic relationships and drug design
inferred← citeshttps://doi.org/10.1016/0165-1110(89)90036-5openalex-snapshot
Quantitative structure-activity relationships: principles, and applications to mutagenicity and carcinogenicity
inferred← citeshttps://doi.org/10.1016/0165-1218(93)90013-4openalex-snapshot
The adsorption of a range of dietary carcinogens by α-cellulose, a model insoluble dietary fiber
inferred← citeshttps://doi.org/10.1016/0165-6147(83)90393-0openalex-snapshot
QSAR and the pharmacologist
inferred← citeshttps://doi.org/10.1016/0165-6147(84)90522-4openalex-snapshot
X-ray crystallography, quantitative structure—activity relationships and molecular graphics
inferred← citeshttps://doi.org/10.1016/0165-6147(88)90012-0openalex-snapshot
Three-dimensional structure-activity relationships
inferred← citeshttps://doi.org/10.1016/0166-1280(94)04006-eopenalex-snapshot
Molecular properties of cationic antitrypanosomal drugs: a Principal Component Analysis study of 2-phenylimidazo[1,2-a]pyridinium salts
inferred← citeshttps://doi.org/10.1016/0166-445x(89)90007-6openalex-snapshot
QSAR study of the toxicity of nitrobenzene derivatives towards Daphnia magna, Chlorella pyrenoidosa and Photobacterium phosphoreum
inferred← citeshttps://doi.org/10.1016/0169-7439(87)80039-4openalex-snapshot
Electronic descriptors in quantitative structure—activity relationships
inferred← citeshttps://doi.org/10.1016/0169-7439(95)00071-2openalex-snapshot
Multivariate Free-Wilson analysis of α-chymotrypsin inhibitors using PLS
inferred← citeshttps://doi.org/10.1016/0196-9781(83)90103-1openalex-snapshot
The use of a steric parameter (Yγ) in QSAR calculations for peptide hormones
inferred← citeshttps://doi.org/10.1016/0196-9781(91)90198-xopenalex-snapshot
Theoretical amino acid descriptors. Application to bradykinin potentiating peptides
inferred← citeshttps://doi.org/10.1016/0223-5234(91)90063-sopenalex-snapshot
Modelling the interaction of small organic molecules with biomacromolecules IV. The in vivo interaction of substituted purines with murine tumor adenocarcinoma CA 755
inferred← citeshttps://doi.org/10.1016/0223-5234(94)90030-2openalex-snapshot
Shape similarity as a single independent variable in QSAR
inferred← citeshttps://doi.org/10.1016/0378-5173(84)90230-8openalex-snapshot
The effect of salt concentration on the distribution of phenol between aqueous sodium chloride and carbon tetrachloride
inferred← citeshttps://doi.org/10.1016/0378-5173(88)90014-2openalex-snapshot
The liposome as a distribution model in QSAR studies
inferred← citeshttps://doi.org/10.1016/0378-5173(89)90025-2openalex-snapshot
Lipophilicity measurements of benzenesulfonamide inhibitors of carbonic anhydrase by reversed-phase HPLC
inferred← citeshttps://doi.org/10.1016/0378-5173(91)90312-copenalex-snapshot
The development of a predictive method for the estimation of flux through polydimethylsiloxane membranes: I. Identification of critical variables for a series of substituted benzenes
inferred← citeshttps://doi.org/10.1016/0731-7085(96)01830-4openalex-snapshot
Characterization of phthalate plasticizers by HPLC/thermospray mass spectrometry
inferred← citeshttps://doi.org/10.1016/0968-0896(95)00124-yopenalex-snapshot
Description of hydrophobicity parameters of a mixed set from their three-dimensional structures
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00033-xopenalex-snapshot
The Intersection of Strategy and Drug Research
inferred← citeshttps://doi.org/10.1016/b978-0-08-022059-8.50007-8openalex-snapshot
Chemicals with Pollution Potential
inferred← citeshttps://doi.org/10.1016/b978-0-08-025297-1.50012-xopenalex-snapshot
Molecular Engineering: A General Approach to QSAR
inferred← citeshttps://doi.org/10.1016/b978-0-12-060308-4.50007-xopenalex-snapshot
Advances in the Methodology of Quantitative Drug Design
inferred← citeshttps://doi.org/10.1016/b978-0-12-060309-1.50008-2openalex-snapshot
Consequences of the Hansch Paradigm for the Pharmaceutical Industry
inferred← citeshttps://doi.org/10.1016/b978-0-12-060309-1.50013-6openalex-snapshot
Logico-Structural Approach to Computer-Assisted Drug Design
inferred← citeshttps://doi.org/10.1016/b978-0-12-060310-7.50013-4openalex-snapshot
Multivariate Data Analysis in Structure—Activity Relationships
inferred← citeshttps://doi.org/10.1016/b978-0-12-175320-7.50008-3openalex-snapshot
Correlation Analysis
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.14703-1openalex-snapshot
Chemometrics for QSAR Modeling
inferred← citeshttps://doi.org/10.1016/b978-0-12-817592-7.00027-7openalex-snapshot
Computational methods and tools for sustainable and green approaches in drug discovery
inferred← citeshttps://doi.org/10.1016/b978-0-408-70950-7.50024-2openalex-snapshot
Activity correlations
inferred← citeshttps://doi.org/10.1016/b978-0-444-88864-8.50094-7openalex-snapshot
AUTOMATIC RECOGNITION OF COMMON STRUCTURAL FEATURES AMONG CHEMICAL COMPOUNDS USING REDUCED STRUCTURE REPRESENTATION BASED ON FUNCTIONAL GROUPS
inferred← citeshttps://doi.org/10.1016/b978-0-444-89778-7.50008-6openalex-snapshot
Distance Geometry Approach To Quantitative Structure-Activity Relationships of α-Chymotrypsin Inhibitors
inferred← citeshttps://doi.org/10.1016/b978-008096519-2.00006-0openalex-snapshot
Application as Pharmaceuticals
inferred← citeshttps://doi.org/10.1016/b978-012088561-9/50005-3openalex-snapshot
QSAR AND PHARMACOPHORE MAPPING STRATEGIES IN NOVEL ANTICANCER DRUG DISCOVERY
inferred← citeshttps://doi.org/10.1016/b978-012178245-0/50004-4openalex-snapshot
Molecular Modeling of Small Molecules
inferred← citeshttps://doi.org/10.1016/b978-012213815-7/50003-0openalex-snapshot
AUTOLOGP Versus Neural Network Estimation of n-Octanol/Water Partition Coefficients
inferred← citeshttps://doi.org/10.1016/j.bmc.2004.03.030openalex-snapshot
A TOPS-MODE approach to predict affinity for A1 adenosine receptors. 2-(Arylamino)adenosine analogues
inferred← citeshttps://doi.org/10.1016/j.bmc.2004.10.024openalex-snapshot
Predicting stability of Arc repressor mutants with protein stochastic moments
inferred← citeshttps://doi.org/10.1016/j.bmc.2004.11.030openalex-snapshot
Predicting multiple drugs side effects with a general drug-target interaction thermodynamic Markov model
inferred← citeshttps://doi.org/10.1016/j.bmc.2006.05.018openalex-snapshot
Unify QSAR approach to antimicrobials. Part 1: Predicting antifungal activity against different species
inferred← citeshttps://doi.org/10.1016/j.bmc.2006.07.032openalex-snapshot
Structure–activity relationships in nitrothiophenes
inferred← citeshttps://doi.org/10.1016/j.bmcl.2005.10.057openalex-snapshot
QSAR study for mycobacterial promoters with low sequence homology
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2003.11.051openalex-snapshot
Modelling skin permeability in risk assessment––the future
inferred← citeshttps://doi.org/10.1016/j.ejmech.2006.11.016openalex-snapshot
ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds
inferred← citeshttps://doi.org/10.1016/j.heliyon.2024.e35897openalex-snapshot
Quantitative structure-activity relationship and ADME prediction studies on series of spirooxindoles derivatives for anti-cancer activity against colon cancer cell line HCT-116
inferred← citeshttps://doi.org/10.1016/j.polymer.2003.12.059openalex-snapshot
3D-QSAR analysis of metallocene-based catalysts used in ethylene polymerisation
inferred← citeshttps://doi.org/10.1016/j.polymer.2005.01.066openalex-snapshot
Stochastic molecular descriptors for polymers. 2. Spherical truncation of electrostatic interactions on entropy based polymers 3D-QSAR
inferred← citeshttps://doi.org/10.1016/j.polymer.2005.04.104openalex-snapshot
Stochastic molecular descriptors for polymers. 3. Markov electrostatic moments as polymer 2D-folding descriptors: RNA–QSAR for mycobacterial promoters
inferred← citeshttps://doi.org/10.1016/j.tet.2005.04.001openalex-snapshot
The role of charge transfer interactions in the inclusion complexation of anionic guests with α-cyclodextrin
inferred← citeshttps://doi.org/10.1016/j.theochem.2004.11.027openalex-snapshot
Quadratic indices of the ‘molecular pseudograph's atom adjacency matrix’ and their stochastic forms: a novel approach for virtual screening and in silico discovery of new lead paramphistomicide drugs-like compounds
inferred← citeshttps://doi.org/10.1016/s0022-5193(88)80125-5openalex-snapshot
Kinetics of drug activities as influenced by their physico-chemical properties: Antibacterial effects of alkylating 2-furylethylenes
inferred← citeshttps://doi.org/10.1016/s0045-6535(03)00705-7openalex-snapshot
Quantum vs. topological descriptors in the development of molecular models of groundwater pollution by pesticides
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