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A High-Resolution Shape-Fragment MEDLA Database for Toxicological Shape Analysis of PAHs
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9780470125793openalex-snapshot
Reviews in Computational Chemistry
inferredcites →https://doi.org/10.1002/bip.360240906openalex-snapshot
Structural analysis of carboxypeptidase A and its complexes with inhibitors as a basis for modeling enzyme recognition and specificity
inferredcites →https://doi.org/10.1002/etc.5620060605openalex-snapshot
Predictive models for photoinduced acute toxicity of polycyclic aromatic hydrocarbons to Daphnia magna, strauss (cladocera, crustacea)
inferredcites →https://doi.org/10.1002/etc.5620120613openalex-snapshot
Impacts of UV radiation and photomodification on the toxicity of pahs to the higher plant Lemna gibba (duckweed
inferredcites →https://doi.org/10.1002/etc.5620131110openalex-snapshot
INFLUENCE OF ULTRAVIOLET LIGHT ON THE TOXICITY OF SEDIMENTS CONTAMINATED WITH POLYCYCLIC AROMATIC HYDROCARBONS
inferredcites →https://doi.org/10.1002/jcc.540080426openalex-snapshot
The shape of molecular charge distributions: Group theory without symmetry
inferredcites →https://doi.org/10.1002/jcc.540161006openalex-snapshot
Toward similarity measures for macromolecular bodies: Medla test calculations for substituted benzene systems
inferredcites →https://doi.org/10.1002/jcc.540161205openalex-snapshot
Application of the shape group method to conformational processes: Shape and conjugation changes in the conformers of 2‐phenyl pyrimidine
inferredcites →https://doi.org/10.1006/eesa.1994.1042openalex-snapshot
Photoinduced Toxicity of Three Polycyclic Aromatic Hydrocarbons (Fluoranthene, Pyrene, and Naphthalene) to the Duckweed Lemna gibba L. G-3
inferredcites →https://doi.org/10.1007/bf01164655openalex-snapshot
Macromolecular density matrices and electron densities with adjustable nuclear geometries
inferredcites →https://doi.org/10.1007/bf01164848openalex-snapshot
A new computational microscope for molecules: High resolution MEDLA images of taxol and HIV-1 protease, using additive electron density fragmentation principles and fuzzy set methods
inferredcites →https://doi.org/10.1007/bf01166298openalex-snapshot
Shape group studies of molecular similarity: Shape groups and shape graphs of molecular contour surfaces
inferredcites →https://doi.org/10.1016/0014-5793(88)81394-2openalex-snapshot
Molecular foundations of drug—receptor interaction
inferredcites →https://doi.org/10.1016/0048-9697(84)90125-6openalex-snapshot
Sources and chemical reactivity of polynuclear aromatic hydrocarbons in the atmosphere — A critical review
inferredcites →https://doi.org/10.1016/b978-0-408-70950-7.50007-2openalex-snapshot
Quantitative pharmacology
inferredcites →https://doi.org/10.1021/ci00010a011openalex-snapshot
Shape-similarity measures for molecular bodies: A 3D topological approach to quantitative shape-activity relations
inferredcites →https://doi.org/10.1021/ci00025a027openalex-snapshot
Shape Group Analysis of Molecular Similarity: Shape Similarity of Six-Membered Aromatic Ring Systems
inferredcites →https://doi.org/10.1021/es00121a715openalex-snapshot
Polynuclear aromatic hydrocarbons
inferredcites →https://doi.org/10.1021/ja00079a025openalex-snapshot
Molecular electron density Lego approach to molecule building
inferredcites →https://doi.org/10.1021/ja00105a050openalex-snapshot
Ab Initio Quality Electron Densities for Proteins: A MEDLA Approach
inferredcites →https://doi.org/10.1021/jm00396a023openalex-snapshot
Biologically active dihydrodiol metabolites of polycyclic aromatic hydrocarbons structurally related to the potent carcinogenic hydrocarbon 7,12-dimethylbenz[a]anthracene
inferredcites →https://doi.org/10.1073/pnas.73.8.2594openalex-snapshot
Enzymatic conversion of benzo(a)pyrene leading predominantly to the diol-epoxide r-7,t-8-dihydroxy-t-9,10-oxy-7,8,9,10-tetrahydrobenzo(a)pyrene through a single enantiomer of r-7, t-8-dihydroxy-7,8-dihydrobenzo(a)pyrene.
inferredcites →https://doi.org/10.1111/j.1751-1097.1977.tb07421.xopenalex-snapshot
THE RELATIONSHIP BETWEEN CARCINOGENIC ACTIVITIES OF POLYCYCLIC AROMATIC HYDROCARBONS AND THEIR SINGLET, TRIPLET, AND SINGLET‐TRIPLET SPLITTING ENERGIES AND PHOSPHORESCENCE LIFETIMES
inferredcites →https://doi.org/10.1111/j.1751-1097.1991.tb02071.xopenalex-snapshot
DEFINITION OF TYPE I and TYPE II PHOTOSENSITIZED OXIDATION
inferredcites →https://doi.org/10.1139/v94-320openalex-snapshot
Realistic, detailed images of proteins and tertiary structure elements: ab initio quality electron density calculations for bovine insulin
inferredcites →https://doi.org/10.1201/9781351076890openalex-snapshot
Steric Aspects of Biomolecular Interactions
inferredcites →https://doi.org/10.1515/9783112706992openalex-snapshot
Theoretical Drug Design Methods
inferredcites →https://doi.org/10.5860/choice.32-0310openalex-snapshot
Shape in chemistry: an introduction to molecular shape and topology
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1997)64:6<669::aid-qua4>3.0.co;2-uopenalex-snapshot
Molecular geometry and symmetry from a differential geometry viewpoint
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1998)66:1<99::aid-qua8>3.0.co;2-vopenalex-snapshot
Polyhedral shapes of functional group distributions in biomolecules and related similarity measures
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1999)74:5<503::aid-qua7>3.0.co;2-kopenalex-snapshot
A fuzzy-set approach to functional-group comparisons based on an asymmetric similarity measure
inferred← citeshttps://doi.org/10.1002/9783527629213.ch25openalex-snapshot
Quantum‐Chemical Descriptors in QSAR/QSPR Modeling: Achievements, Perspectives and Trends
inferred← citeshttps://doi.org/10.1002/etc.5620161114openalex-snapshot
Mechanistic quantitative structure–activity relationship model for the photoinduced toxicity of polycyclic aromatic hydrocarbons: II. An empirical model for the toxicity of 16 polycyclic aromatic hydrocarbons to the duckweed Lemna gibba L. G-3
inferred← citeshttps://doi.org/10.1002/etc.5620170703openalex-snapshot
USE OF QUANTITATIVE SHAPE–ACTIVITY RELATIONSHIPS TO MODEL THE PHOTOINDUCED TOXICITY OF POLYCYCLIC AROMATIC HYDROCARBONS: ELECTRON DENSITY SHAPE FEATURES ACCURATELY PREDICT TOXICITY
inferred← citeshttps://doi.org/10.1002/qsar.200330831openalex-snapshot
Approaches to Measure Chemical Similarity – a Review
inferred← citeshttps://doi.org/10.1002/qsar.200530003openalex-snapshot
Use of Quantitative Structure-activity Relationship to Model the Photoinduced Toxicity of Anthracene and Oxygenated Anthracenes
inferred← citeshttps://doi.org/10.1006/eesa.1999.1764openalex-snapshot
Impacts of Structural Photomodification on the Toxicity of Environmental Contaminants: Anthracene Photooxidation Products
inferred← citeshttps://doi.org/10.1007/3-540-48972-x_9openalex-snapshot
Local Electron Densities and Functional Groups in Quantum Chemistry
inferred← citeshttps://doi.org/10.1007/978-1-4612-1354-3_2openalex-snapshot
Theoretical Calculations on Small Amino Acids
inferred← citeshttps://doi.org/10.1007/978-94-011-5572-4_14openalex-snapshot
Shape in Quantum Chemistry
inferred← citeshttps://doi.org/10.1007/s00214-021-02745-wopenalex-snapshot
From quantum similarity measures to quantum analogy functors: tools for QShAR, quantitative shape-activity relations
inferred← citeshttps://doi.org/10.1007/s10910-008-9360-0openalex-snapshot
Charge-conserving electron density averaging for a set of nuclear configurations
inferred← citeshttps://doi.org/10.1007/s10910-011-9938-9openalex-snapshot
Molecular fragment shape variation index for functional groups and the holographic properties of electron density
inferred← citeshttps://doi.org/10.1007/s10910-011-9939-8openalex-snapshot
Fragment shape variation index for periodicity deficiency and gradual changes of internal coordinates along linear polymers
inferred← citeshttps://doi.org/10.1007/s10910-011-9940-2openalex-snapshot
Molecular fragment shape variation index applied to intramolecular interaction studies
inferred← citeshttps://doi.org/10.1016/s0065-3276(00)38002-9openalex-snapshot
Extended density functions
inferred← citeshttps://doi.org/10.1016/s1359-6446(97)01009-xopenalex-snapshot
Fuzzy molecular fragments in drug research
inferred← citeshttps://doi.org/10.1016/s1380-7323(99)80025-9openalex-snapshot
Molecular similarity and host-guest interactions
inferred← citeshttps://doi.org/10.1016/s1873-9776(98)80010-2openalex-snapshot
Topology and the quantum chemical shape concept
inferred← citeshttps://doi.org/10.1021/jp050917qopenalex-snapshot
Computational Study on the Reaction CH2CH2+ F → CH2CHF + H
inferred← citeshttps://doi.org/10.1023/a:1015138426162openalex-snapshot
Dimension Concepts and Reduced Dimensions in Toxicological QShAR Databases as Tools for Data Quality Assessment
inferred← citeshttps://doi.org/10.1023/a:1019121208423openalex-snapshot
Generalized chirality and symmetry deficiency
inferred← citeshttps://doi.org/10.1039/c3cp53954gopenalex-snapshot
Electron density shape analysis of a family of through-space and through-bond interactions
inferred← citeshttps://doi.org/10.1070/rc1999v068n06abeh000425openalex-snapshot
Molecular structure descriptors in the computer-aided design of biologically active compounds
inferred← citeshttps://doi.org/10.1080/10629360108032918openalex-snapshot
Molecular Shape Analysis of a Maillard Reaction Intermediate
inferred← citeshttps://doi.org/10.1139/v96-183openalex-snapshot
Shape-similarity analysis of 20 stable conformations of neutral β-alanine
inferred← citeshttps://doi.org/10.1897/01-171.1openalex-snapshot
Bioaccumulation and biotransformation of polycyclic aromatic hydrocarbons during sediment tests with oligochaetes (Lumbriculus variegatus)
inferred← citeshttps://doi.org/10.2136/sssaspecpub52.c2openalex-snapshot
Molecular Structure–Reactivity–Toxicity Relationships
inferred← citeshttps://doi.org/10.3390/sym17060825openalex-snapshot
Fine-Tuning of Aspects of Chirality by Co-Authorship Networks
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