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How Different Are Two Chemical Structures?
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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/(sici)1096-987x(19970415)18:5<638::aid-jcc5>3.0.co;2-oopenalex-snapshot
Superposition of molecules: Electron density fitting by application of fourier transforms
inferredcites →https://doi.org/10.1002/(sici)1096-987x(199705)18:7<934::aid-jcc6>3.0.co;2-sopenalex-snapshot
MIMIC: A molecular-field matching program. Exploiting applicability of molecular similarity approaches
inferredcites →https://doi.org/10.1002/(sici)1096-987x(19970715)18:9<1233::aid-jcc11>3.0.co;2-6openalex-snapshot
Global optimization of atomic and molecular clusters using the space-fixed modified genetic algorithm method
inferredcites →https://doi.org/10.1002/1096-987x(20010130)22:2<255::aid-jcc12>3.0.co;2-2openalex-snapshot
TGSA: A molecular superposition program based on topo-geometrical considerations
inferredcites →https://doi.org/10.1002/anie.196603851openalex-snapshot
Specification of Molecular Chirality
inferredcites →https://doi.org/10.1002/anie.198205671openalex-snapshot
Basic Principles of the CIP‐System and Proposals for a Revision
inferredcites →https://doi.org/10.1002/chem.19960020619openalex-snapshot
On the Definition of Chirality
inferredcites →https://doi.org/10.1002/jcc.20681openalex-snapshot
Ultrafast shape recognition to search compound databases for similar molecular shapes
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Generation and characterization of low‐energy structures in atomic clusters
inferredcites →https://doi.org/10.1002/jcc.540100208openalex-snapshot
Optimization of parameters for semiempirical methods I. Method
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Optimization of parameters for semiempirical methods II. Applications
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The Hungarian method for the assignment problem
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Designing Efficient Evolutionary Algorithms for Cluster Optimization: A Study on Locality
inferredcites →https://doi.org/10.1007/bf00117274openalex-snapshot
New molecular shape descriptors: Application in database screening
inferredcites →https://doi.org/10.1007/bf00125017openalex-snapshot
Molecular structure matching by simulated annealing. I. A comparison between different cooling schedules
inferredcites →https://doi.org/10.1007/bf00126218openalex-snapshot
A fast and efficient method for 2D and 3D molecular shape description
inferredcites →https://doi.org/10.1007/bf01589116openalex-snapshot
On the limited memory BFGS method for large scale optimization
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A genetic algorithm for the structural optimization of Morse clusters
inferredcites →https://doi.org/10.1007/s10107-006-0006-3openalex-snapshot
A Population-based Approach for Hard Global Optimization Problems based on Dissimilarity Measures
inferredcites →https://doi.org/10.1007/s12065-009-0020-5openalex-snapshot
A study on diversity for cluster geometry optimization
inferredcites →https://doi.org/10.1016/j.cplett.2009.11.059openalex-snapshot
An evolutionary algorithm for global minimum search of binary atomic clusters
inferredcites →https://doi.org/10.1016/j.jmgm.2006.04.002openalex-snapshot
Quaternions in molecular modeling
inferredcites →https://doi.org/10.1016/j.jmgm.2009.01.001openalex-snapshot
Ultrafast shape recognition: Evaluating a new ligand-based virtual screening technology
inferredcites →https://doi.org/10.1016/j.jmgm.2009.09.002openalex-snapshot
Molecular similarity including chirality
inferredcites →https://doi.org/10.1016/s0009-2614(98)00065-7openalex-snapshot
Global minima of water clusters (H2O) , n≤21, described by an empirical potential
inferredcites →https://doi.org/10.1021/ci00010a015openalex-snapshot
An algorithm for the multiple common subgraph problem
inferredcites →https://doi.org/10.1021/ci00011a012openalex-snapshot
New method for rapid characterization of molecular shapes: applications in drug design
inferredcites →https://doi.org/10.1021/ci800238wopenalex-snapshot
Development of an Efficient Geometry Optimization Method for Water Clusters
inferredcites →https://doi.org/10.1021/jm030242kopenalex-snapshot
Shape Signatures: A New Approach to Computer-Aided Ligand- and Receptor-Based Drug Design
inferredcites →https://doi.org/10.1021/jp711918topenalex-snapshot
On the Use of Different Potential Energy Functions in Rare-Gas Cluster Optimization by Genetic Algorithms: Application to Argon Clusters
inferredcites →https://doi.org/10.1039/b206197jopenalex-snapshot
Global view of classical clusters: the hyperspherical approach to structure and dynamics
inferredcites →https://doi.org/10.1039/b305686dopenalex-snapshot
Evolving better nanoparticles: Genetic algorithms for optimising cluster geometries
inferredcites →https://doi.org/10.1063/1.1785785openalex-snapshot
Phase-space invariants for aggregates of particles: Hyperangular momenta and partitions of the classical kinetic energy
inferredcites →https://doi.org/10.1063/1.1996481openalex-snapshot
Energy Landscapes: With Applications to Clusters, Biomolecules and Glasses
inferredcites →https://doi.org/10.1063/1.2950083openalex-snapshot
A hierarchical transition state search algorithm
inferredcites →https://doi.org/10.1063/1.3231134openalex-snapshot
The discovery of unexpected isomers in sodium heptamers by Born–Oppenheimer molecular dynamics
inferredcites →https://doi.org/10.1063/1.445869openalex-snapshot
Comparison of simple potential functions for simulating liquid water
inferredcites →https://doi.org/10.1063/1.470990openalex-snapshot
Global geometry optimization of (Ar)n and B(Ar)n clusters using a modified genetic algorithm
inferredcites →https://doi.org/10.1080/10556780802614101openalex-snapshot
Global optimization of binary Lennard–Jones clusters
inferredcites →https://doi.org/10.1098/rsif.2009.0170openalex-snapshot
Prospective virtual screening with Ultrafast Shape Recognition: the identification of novel inhibitors of arylamine N -acetyltransferases
inferredcites →https://doi.org/10.1103/physrevlett.75.288openalex-snapshot
Molecular Geometry Optimization with a Genetic Algorithm
inferredcites →https://doi.org/10.1107/s0108767388010128openalex-snapshot
On the orthogonal transformation used for structural comparisons
inferredcites →https://doi.org/10.1109/cec.2006.1688590openalex-snapshot
Analysis of Locality in Hybrid Evolutionary Cluster Optimization
inferredcites →https://doi.org/10.1109/tevc.2009.2033584openalex-snapshot
Discovering Unique, Low-Energy Pure Water Isomers: Memetic Exploration, Optimization, and Landscape Analysis
inferredcites →https://doi.org/10.1137/0105003openalex-snapshot
Algorithms for the Assignment and Transportation Problems
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Theoretical investigation of the stability of A55-B nanoalloys (A, B = Al, Cu, Zn, Ag)
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New insights on lithium-cation microsolvation by solvents forming hydrogen-bonds: Water versus methanol
inferred← citeshttps://doi.org/10.1016/j.comptc.2013.07.041openalex-snapshot
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