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Similarity screening of molecular data sets

https://doi.org/10.1007/bf00130401
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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.540110202openalex-snapshot
Semiempirical AM1 electrostatic potentials and AM1 electrostatic potential derived charges: A comparison with ab initio values
inferredcites →https://doi.org/10.1002/jcc.540111004openalex-snapshot
The application of molecular similarity calculations
inferredcites →https://doi.org/10.1002/jcc.540120809openalex-snapshot
Quantitative comparison of molecular electrostatic potentials for structure‐activity studies
inferredcites →https://doi.org/10.1002/qua.560170612openalex-snapshot
How similar is a molecule to another? An electron density measure of similarity between two molecular structures
inferredcites →https://doi.org/10.1002/qua.560300605openalex-snapshot
Quantitative measures of similarity between pharmacologically active compounds
inferredcites →https://doi.org/10.1002/qua.560320412openalex-snapshot
LCAO–MO similarity measures and taxonomy
inferredcites →https://doi.org/10.1002/qua.560320814openalex-snapshot
Molecular similarity based on electrostatic potential and electric field
inferredcites →https://doi.org/10.1007/bf00125012openalex-snapshot
Molecular similarity: The introduction of flexible fitting
inferredcites →https://doi.org/10.1007/bf00125663openalex-snapshot
Similarity of molecular shape
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/b978-0-7236-0589-8.50008-9openalex-snapshot
Chemistry and Structure—Activity Relationships of Drugs Acting at Histamine Receptors
inferredcites →https://doi.org/10.1016/c2013-0-06452-3openalex-snapshot
Pharmacology of Histamine Receptors
inferredcites →https://doi.org/10.1016/s0022-2836(77)80200-3openalex-snapshot
The protein data bank: A computer-based archival file for macromolecular structures
inferredcites →https://doi.org/10.1021/ci00007a002openalex-snapshot
Utilization of Gaussian functions for the rapid evaluation of molecular similarity
inferredcites →https://doi.org/10.1021/ci00067a016openalex-snapshot
Conformational freedom in 3-D databases. 1. Techniques
inferredcites →https://doi.org/10.1021/ci00067a017openalex-snapshot
Automated conformational analysis and structure generation: algorithms for molecular perception
inferredcites →https://doi.org/10.1073/pnas.87.17.6644openalex-snapshot
Structure-based design of nonpeptide inhibitors specific for the human immunodeficiency virus 1 protease.

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)1096-987x(19970130)18:2<151::aid-jcc1>3.0.co;2-uopenalex-snapshot
Optimization of Carb� molecular similarity index using gradient methods
inferred← citeshttps://doi.org/10.1002/(sici)1096-987x(199708)18:11<1344::aid-jcc2>3.0.co;2-lopenalex-snapshot
Alignment of molecules by the Monte Carlo optimization of molecular similarity indices
inferred← citeshttps://doi.org/10.1002/0471720895.ch5openalex-snapshot
Biomolecular Applications of Poisson–Boltzmann Methods
inferred← citeshttps://doi.org/10.1002/9780470125847.ch1openalex-snapshot
Similarity Searching in Databases of Chemical Structures
inferred← citeshttps://doi.org/10.1002/9783527616824.refsopenalex-snapshot
References
inferred← citeshttps://doi.org/10.1002/med.2610140104openalex-snapshot
Interactive multivariate modeling of ArgGlyAsp (RGD) derivatives
inferred← citeshttps://doi.org/10.1002/qsar.200530128openalex-snapshot
Modelling Toxicity using Molecular Quantum Similarity Measures
inferred← citeshttps://doi.org/10.1007/978-3-319-16480-9_23openalex-snapshot
Successes and Pitfalls in Scoring Molecular Interactions
inferred← citeshttps://doi.org/10.1007/bf00124349openalex-snapshot
CAVEAT: A program to facilitate the design of organic molecules
inferred← citeshttps://doi.org/10.1007/bf00124466openalex-snapshot
Determination of receptor-bound drug conformations by QSAR using flexible fitting to derive a molecular similarity index
inferred← citeshttps://doi.org/10.1007/s10822-015-9856-1openalex-snapshot
Ligand- and receptor-based docking with LiBELa
inferred← citeshttps://doi.org/10.1016/b978-012221285-7/50031-0openalex-snapshot
Molecular similarity
inferred← citeshttps://doi.org/10.1016/j.ejmech.2012.11.013openalex-snapshot
MolShaCS: A free and open source tool for ligand similarity identification based on Gaussian descriptors
inferred← citeshttps://doi.org/10.1016/j.jtbi.2011.01.010openalex-snapshot
NL MIND-BEST: A web server for ligands and proteins discovery—Theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum
inferred← citeshttps://doi.org/10.1017/s0033583500003103openalex-snapshot
Fundamentals of drug design from a biophysical viewpoint
inferred← citeshttps://doi.org/10.1021/ci050061mopenalex-snapshot
Molecular Quantum Similarity Measures from Fermi Hole Densities: Modeling Hammett Sigma Constants
inferred← citeshttps://doi.org/10.1023/a:1008034527445openalex-snapshot
Similarity searching in files of three-dimensional chemical structures: Representation and searching of molecular electrostatic potentials using field-graphs
inferred← citeshttps://doi.org/10.1039/b912398aopenalex-snapshot
Cross-species analysis of the glycolytic pathway by comparison of molecular interaction fields
inferred← citeshttps://doi.org/10.1049/cp:19991179openalex-snapshot
Chemical structure matching using correlation matrix memories
inferred← citeshttps://doi.org/10.1080/00268970310001605741openalex-snapshot
(William) Graham Richards
inferred← citeshttps://doi.org/10.1109/kes.2000.885792openalex-snapshot
Performance evaluation of a fast chemical structure matching method using distributed neural relaxation
inferred← citeshttps://doi.org/10.11606/t.76.2018.tde-17092018-104828openalex-snapshot
Métodos híbridos em docagem molecular: implementação, validação e aplicação
inferred← citeshttps://doi.org/10.1201/9780203913390-19openalex-snapshot
Quantum Similarity and Quantitative Structure–Activity Relationships
inferred← citeshttps://doi.org/10.1201/9780203913390.ch14openalex-snapshot
Quantum Similarity and Quantitative Structure–Activity Relationships
inferred← citeshttps://doi.org/10.1201/9780203913390.ch18openalex-snapshot
Use of 3D Pharmacophore Models in 3D Database Searching
inferred← citeshttps://doi.org/10.26434/chemrxiv.7357052.v5openalex-snapshot
Study of Chemical Similarity Between Molecules Through a Comparative Method of Standard Thermodynamic Properties
inferred← citeshttps://doi.org/10.3233/jcm-160653openalex-snapshot
Iterated similarity sequences and factorial level similarities in databases
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