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The OASIS concept for predicting the biological activity of chemical compounds
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/jcc.540030316openalex-snapshot
Approaches to charge calculations in molecular mechanics
inferredcites →https://doi.org/10.1002/jcc.540060606openalex-snapshot
Unique description of chemical structures based on hierarchically ordered extended connectivities (HOC procedures). I. Algorithms for finding graph orbits and canonical numbering of atoms
inferredcites →https://doi.org/10.1002/jcc.540060607openalex-snapshot
Unique description of chemical structures on hierarchically ordered extended connectivities (HOC procedures). II. Mathematical proofs for the HOC algorithm
inferredcites →https://doi.org/10.1002/jcc.540060611openalex-snapshot
Unique description of chemical structures based on hierarchically ordered extended connectivities (HOC procedures). VIII. General principles for computer implementation
inferredcites →https://doi.org/10.1002/jps.2600590341openalex-snapshot
The Molecular Orbital Theory of Organic Chemistry
inferredcites →https://doi.org/10.1002/jps.2600600413openalex-snapshot
Quantum Chemical Approach to Structure‐Activity Relationships of Tetracycline Antibiotics
inferredcites →https://doi.org/10.1002/jps.2600610617openalex-snapshot
Molecular Orbital Calculations on Some Nitrogen Derivatives of Conjugated Hydrocarbons: Base Strength of Benzacridines and Their Amino Derivatives
inferredcites →https://doi.org/10.1002/jps.2600660303openalex-snapshot
Pattern Recognition II: Investigation of Structure-Activity Relationships
inferredcites →https://doi.org/10.1002/jps.2600690938openalex-snapshot
Substituent Constants for Correlation Analysis in Chemistry and Biology.
inferredcites →https://doi.org/10.1002/jps.2600700421openalex-snapshot
Quantitative Structure-Activity Relationships of Purines I: Choice of Parameters and Prediction of pKa Values
inferredcites →https://doi.org/10.1002/jps.2600700825openalex-snapshot
Quantitation of Solvent Polarity Based on Molecular Structure
inferredcites →https://doi.org/10.1002/jps.2600730403openalex-snapshot
Comparative Study of Lipophilicity versus Topological Molecular Descriptors in Biological Correlations
inferredcites →https://doi.org/10.1002/qsar.19880070405openalex-snapshot
Modeling the Interaction of Small Organic Molecules with Biomacromolecules (the Oasis Approach). V. Toxicity of Phenols to Algae “Lemna Minor”
inferredcites →https://doi.org/10.1016/0009-2614(72)85099-1openalex-snapshot
Graph theory and molecular orbitals. Total φ-electron energy of alternant hydrocarbons
inferredcites →https://doi.org/10.1016/0022-2860(77)87052-xopenalex-snapshot
Chemical applications of graph theory
inferredcites →https://doi.org/10.1016/0040-4020(80)80168-2openalex-snapshot
Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges
inferredcites →https://doi.org/10.1016/0160-9327(86)90116-xopenalex-snapshot
Molecular connectivity in structure-activity analysis
inferredcites →https://doi.org/10.1016/0166-1280(87)80078-7openalex-snapshot
Mathematics and computational concepts in chemistry
inferredcites →https://doi.org/10.1016/b978-0-12-060307-7.50010-9openalex-snapshot
Development and Application of New Steric Substituent Parameters in Drug Design
inferredcites →https://doi.org/10.1016/b978-0-12-406560-4.x5001-6openalex-snapshot
Molecular Connectivity in Chemistry and Drug Research
inferredcites →https://doi.org/10.1021/ja00396a021openalex-snapshot
The MNDOC method, a correlated version of the MNDO model
inferredcites →https://doi.org/10.1021/ja00457a004openalex-snapshot
Ground states of molecules. 38. The MNDO method. Approximations and parameters
inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
Characterization of molecular branching
inferredcites →https://doi.org/10.1021/ja01062a035openalex-snapshot
p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure
inferredcites →https://doi.org/10.1021/ja01132a049openalex-snapshot
Polar and Steric Substituent Constants for Aliphatic and o-Benzoate Groups from Rates of Esterification and Hydrolysis of Esters1
inferredcites →https://doi.org/10.1021/ja01193a005openalex-snapshot
Structural Determination of Paraffin Boiling Points
inferredcites →https://doi.org/10.1021/jm00135a001openalex-snapshot
A practitioner's perspective of the role of quantitative structure-activity analysis in medicinal chemistry
inferredcites →https://doi.org/10.1021/jm00196a017openalex-snapshot
Chance factors in studies of quantitative structure-activity relationships
inferredcites →https://doi.org/10.1021/jm00269a003openalex-snapshot
Aromatic substituent constants for structure-activity correlations
inferredcites →https://doi.org/10.1021/jm00334a001openalex-snapshot
A Mathematical Contribution to Structure-Activity Studies
inferredcites →https://doi.org/10.1063/1.1698929openalex-snapshot
A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I.
inferredcites →https://doi.org/10.1063/1.1698963openalex-snapshot
An Improvement in the π-Electron Approximation in LCAO MO Theory
inferredcites →https://doi.org/10.1070/rc1988v057n03abeh003344openalex-snapshot
Topological Indices in Organic Chemistry
inferredcites →https://doi.org/10.1246/bcsj.44.2332openalex-snapshot
Topological Index. A Newly Proposed Quantity Characterizing the Topological Nature of Structural Isomers of Saturated Hydrocarbons
inferredcites →https://doi.org/10.1248/cpb.33.488openalex-snapshot
Preparation and properties of novel trisubstituted N-nitrosoureas which decompose to afford triazenes and nitro compounds under mild conditions.
inferredcites →https://doi.org/10.1351/pac198855020199openalex-snapshot
Topological indices based on topological distances in molecular graphs
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/app.12906openalex-snapshot
Topology‐rheology regression models for monodisperse linear and branched polyethylenes
inferred← citeshttps://doi.org/10.1002/etc.5571openalex-snapshot
Evaluation of Complex Mixture Toxicity in the Milwaukee Estuary (WI, USA) Using Whole-Mixture and Component-Based Evaluation Methods
inferred← citeshttps://doi.org/10.1002/qsar.19930120204openalex-snapshot
Structure‐Toxicity Relationships for α, β‐Unsaturated Alcohols in Fish
inferred← citeshttps://doi.org/10.1002/qsar.19930120402openalex-snapshot
A QSAR Approach for Estimating the Aquatic Toxicity of Soft Electrophiles [QSAR for Soft Electrophiles]
inferred← citeshttps://doi.org/10.1002/qsar.19940130308openalex-snapshot
Dynamic QSAR: A New Search for Active Conformations and Significant Stereoelectronic Indices
inferred← citeshttps://doi.org/10.1002/qsar.19950140306openalex-snapshot
SAR Models for Metabolic Activation: Stability of Organic Cation Intermediates
inferred← citeshttps://doi.org/10.1007/978-3-642-80286-7_14openalex-snapshot
The Oasis Computer System and its New Tools for QSAR Studies
inferred← citeshttps://doi.org/10.1007/bf02493618openalex-snapshot
The solute molecule—Rigid or partially flexible? calculation of benzodiazepineR F values as an example
inferred← citeshttps://doi.org/10.1016/0003-2670(94)00280-0openalex-snapshot
Selection of molecular descriptors used in quantitative structure-gas chromatographic retention relationships
inferred← citeshttps://doi.org/10.1016/0003-2670(95)00554-4openalex-snapshot
Selection of molecular descriptors used in quantitative structure-gas chromatographie retention relationships
inferred← citeshttps://doi.org/10.1016/0045-6535(94)90299-2openalex-snapshot
QSARs for photoinduced toxicity: I. Acute lethality of polycyclic aromatic hydrocarbons to Daphnia magna
inferred← citeshttps://doi.org/10.1016/0097-8485(94)85009-7openalex-snapshot
A new development of the oasis computer system for modeling molecular properties
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(93)90116-vopenalex-snapshot
Comparative study of DARC/PELCO and OASIS methods. II. Modelling PNMT inhibitory potency of benzylamines and amphetamines
inferred← citeshttps://doi.org/10.1016/0301-4622(94)00029-8openalex-snapshot
The conformational flexibility of aromatic retinoids
inferred← citeshttps://doi.org/10.1016/b978-044452701-1.00007-7openalex-snapshot
Chemometrics in QSAR
inferred← citeshttps://doi.org/10.1016/s0045-6535(97)00098-2openalex-snapshot
Alternatives for the determination of the soil adsorption coefficient, KOC, of non-ionicorganic compounds — a review
inferred← citeshttps://doi.org/10.1016/s0378-4347(97)00560-4openalex-snapshot
Quantitative analysis of polychlorinated biphenyls, organochlorine insecticides, polycyclic aromatic hydrocarbons, polychlorinated hydrocarbons and polynitrohydrocarbons in spiked samples of soil, water and plasma by selected-ion monitoring gas chromatography–mass spectrometry
inferred← citeshttps://doi.org/10.1016/s0742-8413(97)00196-5openalex-snapshot
Effects of Hexamethonium, Phenothiazines, Propranolol and Ephedrine on Acetylcholinesterase Carbamylation by Physostigmine, Aldicarb and Carbaryl: Interaction between the Active Site and the Functionally Distinct Peripheral Sites in Acetylcholinesterase
inferred← citeshttps://doi.org/10.1016/s0742-8413(98)00002-4openalex-snapshot
Physicochemical, Molecular-Orbital and Electronic Properties of Acephate and Methamidophos
inferred← citeshttps://doi.org/10.1016/s1093-3263(01)00101-2openalex-snapshot
Overall connectivity — a next generation molecular connectivity
inferred← citeshttps://doi.org/10.1021/ci990120uopenalex-snapshot
Overall Connectivities/Topological Complexities: A New Powerful Tool for QSPR/QSAR
inferred← citeshttps://doi.org/10.1021/es00005a019openalex-snapshot
QSAR Evaluation of .alpha.-Terthienyl Phototoxicity
inferred← citeshttps://doi.org/10.1080/10629360108035363openalex-snapshot
QSAR for Acetylcholinesterase Inhibition and Toxicity of Two Classes of Phosphoramidothioates
inferred← citeshttps://doi.org/10.1080/10629360108035379openalex-snapshot
Overall Molecular Descriptors. 3. Overall Zagreb Indices
inferred← citeshttps://doi.org/10.1080/10629369408028844openalex-snapshot
The Electronic Factor in QSAR: MO-Parameters, Competing Interactions, Reactivity and Toxicity
inferred← citeshttps://doi.org/10.1080/10629369708039123openalex-snapshot
Novel Indices for the Topological Complexity of Molecules
inferred← citeshttps://doi.org/10.1081/jlc-100101644openalex-snapshot
PRELIMINARY STUDY ON THE RETENTION OF SOME ANTIOXIDANTS ON REVERSE PHASE THIN LAYER CHROMATOGRAPHIC PLATES
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