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Local Indices for Similarity Analysis (LISA)—A 3D-QSAR Formalism Based on Local Molecular Similarity
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rules
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Cumulative and discrete similarity analysis of electrostatic potentials and fields
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Molekulare Ähnlichkeit. 1. Chemische Struktur und biologische Wirkung
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Molekulare Ähnlichkeit. 2. Strukturbasierter Entwurf von Wirkstoffen
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The refined 1.9‐Å X‐ray crystal structure of d‐Phe‐Pro‐Arg chloromethylketone‐inhibited human α ‐thrombin: Structure analysis, overall structure, electrostatic properties, detailed active‐site geometry, and structure‐function relationships
inferredcites →https://doi.org/10.1002/qsar.19880070105openalex-snapshot
Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR 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.560320814openalex-snapshot
Molecular similarity based on electrostatic potential and electric field
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Defining molecular similarity and complementarity for drug design
inferredcites →https://doi.org/10.1007/978-94-011-1350-2_2openalex-snapshot
3D molecular similarity indices and their application in QSAR studies
inferredcites →https://doi.org/10.1007/bf00124456openalex-snapshot
MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry
inferredcites →https://doi.org/10.1007/s00894-008-0399-4openalex-snapshot
Exploring the binding of HIV-1 integrase inhibitors by comparative residue interaction analysis (CoRIA)
inferredcites →https://doi.org/10.1007/s008940050075openalex-snapshot
Use of the Supermolecule Approach to Derive Molecular Similarity Descriptors for QSAR Analysis
inferredcites →https://doi.org/10.1007/s10822-006-9051-5openalex-snapshot
Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligands
inferredcites →https://doi.org/10.1007/s10822-008-9172-0openalex-snapshot
A comprehensive analysis of the thermodynamic events involved in ligand–receptor binding using CoRIA and its variants
inferredcites →https://doi.org/10.1007/s11030-006-8697-1openalex-snapshot
Molecular similarity and diversity in chemoinformatics: From theory to applications
inferredcites →https://doi.org/10.1016/0263-7855(92)80048-iopenalex-snapshot
The calculation of molecular similarity: alternative formulas, data manipulation and graphical display
inferredcites →https://doi.org/10.1016/j.ahj.2004.10.024openalex-snapshot
Novel constructs for thrombin inhibition
inferredcites →https://doi.org/10.1016/j.drudis.2007.01.011openalex-snapshot
Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches
inferredcites →https://doi.org/10.1016/s0958-1669(99)00059-2openalex-snapshot
Chemoinformatics – similarity and diversity in chemical libraries
inferredcites →https://doi.org/10.1021/ar50020a002openalex-snapshot
Quantitative approach to biochemical structure-activity relationships
inferredcites →https://doi.org/10.1021/ci00020a020openalex-snapshot
Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships
inferredcites →https://doi.org/10.1021/ci0100090openalex-snapshot
Estimation of Molecular Similarity Based on 4D-QSAR Analysis: Formalism and Validation
inferredcites →https://doi.org/10.1021/ci600568uopenalex-snapshot
Design of Inhibitors of the MurF Enzyme of Streptococcus pneumoniae Using Docking, 3D-QSAR, and de Novo Design
inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
inferredcites →https://doi.org/10.1021/ja00901a033openalex-snapshot
The Correlation of Biological Activity of Plant Growth Regulators and Chloromycetin Derivatives with Hammett Constants and Partition Coefficients
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/jm00047a021openalex-snapshot
Three-Dimensional Molecular Shape Analysis-Quantitative Structure-Activity Relationship of a Series of Cholecystokinin-A Receptor Antagonists
inferredcites →https://doi.org/10.1021/jm00050a010openalex-snapshot
Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity
inferredcites →https://doi.org/10.1021/jm00334a001openalex-snapshot
A Mathematical Contribution to Structure-Activity Studies
inferredcites →https://doi.org/10.1021/jm020808popenalex-snapshot
DrugScore Meets CoMFA: Adaptation of Fields for Molecular Comparison (AFMoC) or How to Tailor Knowledge-Based Pair-Potentials to a Particular Protein
inferredcites →https://doi.org/10.1021/jm0497141openalex-snapshot
A Comparison of Methods for Modeling Quantitative Structure−Activity Relationships
inferredcites →https://doi.org/10.1021/jm050185qopenalex-snapshot
Combining Protein Modeling and 6D-QSAR. Simulating the Binding of Structurally Diverse Ligands to the Estrogen Receptor
inferredcites →https://doi.org/10.1021/jm950589qopenalex-snapshot
Comparative Molecular Moment Analysis (CoMMA): 3D-QSAR without Molecular Superposition
inferredcites →https://doi.org/10.1021/jm970732aopenalex-snapshot
Three-Dimensional Quantitative Similarity−Activity Relationships (3D QSiAR) from SEAL Similarity Matrices
inferredcites →https://doi.org/10.1021/jm981062ropenalex-snapshot
Three-Dimensional Quantitative Structure−Activity Relationship Analyses Using Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis To Elucidate Selectivity Differences of Inhibitors Binding to Trypsin, Thrombin, and Factor Xa
inferredcites →https://doi.org/10.1023/a:1011150003086openalex-snapshot
Structure-toxicity relationships of polycyclic aromatic hydrocarbons using molecular quantum similarity
inferredcites →https://doi.org/10.1038/194178b0openalex-snapshot
Correlation of Biological Activity of Phenoxyacetic Acids with Hammett Substituent Constants and Partition Coefficients
inferredcites →https://doi.org/10.1039/b409813gopenalex-snapshot
Molecular similarity: a key technique in molecular informatics
inferredcites →https://doi.org/10.1097/00019501-199612000-00006openalex-snapshot
The human pharmacology of thrombin inhibition
inferredcites →https://doi.org/10.1111/j.1747-0285.2008.00757.xopenalex-snapshot
The Thermolysin Family (M4) of Enzymes: Therapeutic and Biotechnological Potential
inferredcites →https://doi.org/10.1152/ajpendo.00652.2005openalex-snapshot
Glycogen branches out: new perspectives on the role of glycogen metabolism in the integration of metabolic pathways
inferredcites →https://doi.org/10.2174/0929867033457935openalex-snapshot
Quantitative Structure - Activity Relationships (QSARs) of Thrombin Inhibitors: Review, Evaluation and Comparative Analysis
inferredcites →https://doi.org/10.2174/1389203023380422openalex-snapshot
Glycogen Phosphorylase as a Molecular Target for Type 2 Diabetes Therapy
inferredcites →https://doi.org/10.2174/1568026043451186openalex-snapshot
Molecular Similarity and Property Similarity
inferredcites →https://doi.org/10.2174/1570161043385673openalex-snapshot
Biochemical Strategies to Anticoagulation: A Comparative Overview
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/jcc.21804openalex-snapshot
EnsembleQSAR: A QSAR method based on conformational ensembles and metric descriptors
inferred← citeshttps://doi.org/10.1007/978-3-031-81728-1_25openalex-snapshot
Transformation of QSAR by AI and ML
inferred← citeshttps://doi.org/10.1016/j.comtox.2022.100240openalex-snapshot
Predicting toxicity of endocrine disruptors and blood–brain barrier permeability using chirality-sensitive descriptors and machine learning
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00419openalex-snapshot
xMaP—An Interpretable Alignment-Free Four-Dimensional Quantitative Structure–Activity Relationship Technique Based on Molecular Surface Properties and Conformer Ensembles
inferred← citeshttps://doi.org/10.1021/ci5006367openalex-snapshot
CoRILISA: A Local Similarity Based Receptor Dependent QSAR Method
inferred← citeshttps://doi.org/10.1080/07391102.2014.909744openalex-snapshot
How good areensemblesin improving QSAR models? The case witheCoRIA
inferred← citeshttps://doi.org/10.3390/molecules27196511openalex-snapshot
QSPR Modeling and Experimental Determination of the Antioxidant Activity of Some Polycyclic Compounds in the Radical-Chain Oxidation Reaction of Organic Substrates
inferred← citeshttps://doi.org/10.3390/ph15111383openalex-snapshot
Quantitative Structure–Toxicity Relationship in Bioactive Molecules from a Conceptual DFT Perspective
inferred← citeshttps://doi.org/10.4018/ijqspr.2019070105openalex-snapshot
Eigen Value ANalySis (EVANS) ‒ A Tool to Address Pharmacodynamic, Pharmacokinetic and Toxicity Issues
inferred← citeshttps://doi.org/10.4155/9781909453012openalex-snapshot
In Silico Drug Discovery and Design
inferred← citeshttps://doi.org/10.6026/97320630008498openalex-snapshot
An alphabetic code based atomic level molecular similarity search in databases
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