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QSAR Modeling Using Chirality Descriptors Derived from Molecular Topology
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Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1097-0134(19991101)37:2<228::aid-prot8>3.0.co;2-8openalex-snapshot
Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking
inferredcites →https://doi.org/10.1002/1521-3838(200006)19:3<237::aid-qsar237>3.0.co;2-aopenalex-snapshot
The Thirty-one Benchmark Steroids Revisited: Comparative Molecular Moment Analysis (CoMMA) with Principal Component Regression
inferredcites →https://doi.org/10.1002/9780470125885openalex-snapshot
Reviews in Computational Chemistry
inferredcites →https://doi.org/10.1002/chir.530010103openalex-snapshot
The FDA perspective on the development of stereoisomers
inferredcites →https://doi.org/10.1002/jps.2600760325openalex-snapshot
Molecular Connectivity in Structure–activity Analysis
inferredcites →https://doi.org/10.1002/prot.10028openalex-snapshot
Automated docking to multiple target structures: Incorporation of protein mobility and structural water heterogeneity in AutoDock
inferredcites →https://doi.org/10.1006/jmbi.2001.4551openalex-snapshot
FlexE: efficient molecular docking considering protein structure variations
inferredcites →https://doi.org/10.1007/0-306-46858-1_13openalex-snapshot
The CoMFA Steroids as a Benchmark Dataset for Development of 3D QSAR Methods
inferredcites →https://doi.org/10.1007/0-306-46858-1_6openalex-snapshot
Comparative Molecular Similarity Indices Analysis: CoMSIA
inferredcites →https://doi.org/10.1007/978-3-642-70982-1_6openalex-snapshot
Graph Theory and Molecular Orbitals
inferredcites →https://doi.org/10.1007/bf00124499openalex-snapshot
Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4
inferredcites →https://doi.org/10.1016/0031-9384(82)90140-8openalex-snapshot
Influence of chirality of amino acids on the growth of perceived taste intensity with concentration
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Three-dimensional structure-activity relationships
inferredcites →https://doi.org/10.1016/0166-4328(89)90002-8openalex-snapshot
Sensory evidence for olfactory receptors with opposite chiral selectivity
inferredcites →https://doi.org/10.1016/b978-0-12-406560-4.x5001-6openalex-snapshot
Molecular Connectivity in Chemistry and Drug Research
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Accurate prediction of the bound conformation of galanthamine in the active site of torpedo californica acetylcholinesterase using molecular docking
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inferredcites →https://doi.org/10.1016/s1093-3263(98)00008-4openalex-snapshot
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inferredcites →https://doi.org/10.1016/s1093-3263(98)00013-8openalex-snapshot
Prediction of properties of chiral compounds by molecular topology
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GE CUTS A WIDE SWATH IN CHEMICALS
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Novel Chirality Descriptors Derived from Molecular Topology
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Counts of all walks as atomic and molecular descriptors
inferredcites →https://doi.org/10.1021/ci970004wopenalex-snapshot
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inferredcites →https://doi.org/10.1021/ci980033mopenalex-snapshot
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inferredcites →https://doi.org/10.1021/ci990437uopenalex-snapshot
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inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
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inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
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inferredcites →https://doi.org/10.1021/ja00856a002openalex-snapshot
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inferredcites →https://doi.org/10.1021/jm00002a012openalex-snapshot
A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site
inferredcites →https://doi.org/10.1021/jm00007a003openalex-snapshot
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inferredcites →https://doi.org/10.1021/jm00240a017openalex-snapshot
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inferredcites →https://doi.org/10.1021/jm950771ropenalex-snapshot
Structure-Based Alignment and Comparative Molecular Field Analysis of Acetylcholinesterase Inhibitors
inferredcites →https://doi.org/10.1021/jm970535bopenalex-snapshot
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inferredcites →https://doi.org/10.1021/jm970732aopenalex-snapshot
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inferredcites →https://doi.org/10.1021/jm980415jopenalex-snapshot
Quantitative Structure−Activity Relationship Modeling of Dopamine D1Antagonists Using Comparative Molecular Field Analysis, Genetic Algorithms−Partial Least-Squares, and K Nearest Neighbor Methods
inferredcites →https://doi.org/10.1021/jm980428xopenalex-snapshot
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inferredcites →https://doi.org/10.1023/a:1008052320014openalex-snapshot
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inferredcites →https://doi.org/10.1023/a:1011115820450openalex-snapshot
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inferredcites →https://doi.org/10.1063/1.430994openalex-snapshot
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inferredcites →https://doi.org/10.1080/10629369708039123openalex-snapshot
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inferredcites →https://doi.org/10.2165/00003495-199600525-00003openalex-snapshot
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inferredcites →https://doi.org/10.2165/00003495-199600526-00004openalex-snapshot
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inferredcites →https://doi.org/10.2307/1422171openalex-snapshot
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/0471266949.bmc001.pub2openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/9781118431740.ch8openalex-snapshot
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QSAR models based on isomorphic and nonisomorphic data fusion for predicting the blood brain barrier permeability
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Distributed and multicore QuBiLS‐MIDAS software v2.0: Computing chiral, fuzzy, weighted and truncated geometrical molecular descriptors based on tensor algebra
inferred← citeshttps://doi.org/10.1002/jssc.200800693openalex-snapshot
Exploring enantioselective molecular recognition mechanisms with chemoinformatic techniques
inferred← citeshttps://doi.org/10.1002/minf.201100129openalex-snapshot
Existing and Developing Approaches for QSAR Analysis of Mixtures
inferred← citeshttps://doi.org/10.1002/minf.201100160openalex-snapshot
Application of GQSAR for Scaffold Hopping and Lead Optimization in Multitarget Inhibitors
inferred← citeshttps://doi.org/10.1002/minf.201400122openalex-snapshot
Greedy and Linear Ensembles of Machine Learning Methods Outperform Single Approaches for QSPR Regression Problems
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The Use of the Index of Ideality of Correlation to Build Up Models for Bioconcentration Factor
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Multiple Conformer Descriptors for QSAR Modeling
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R software for QSAR analysis in phytopharmacological studies
inferred← citeshttps://doi.org/10.1002/qsar.200530001openalex-snapshot
Chirality Factors and Their Application to QSAR Studies of Chiral Molecules
inferred← citeshttps://doi.org/10.1002/qsar.200730048openalex-snapshot
Description and Application of Similarity‐Based Methods for Fast and Simple QSAR Model Development
inferred← citeshttps://doi.org/10.1002/qsar.200810023openalex-snapshot
A Dual‐Response Partial Least Squares Regression QSAR Model and its Application in Design of Dual Activators of PPARα and PPARγ
inferred← citeshttps://doi.org/10.1002/qsar.200810063openalex-snapshot
Group‐Based QSAR (G‐QSAR): Mitigating Interpretation Challenges in QSAR
inferred← citeshttps://doi.org/10.1002/qsar.200810066openalex-snapshot
Encoding Absolute Configurations with Chiral Enantiophore Descriptors. Application to the Order of Elution of Enantiomers in Liquid Chromatography
inferred← citeshttps://doi.org/10.1002/qsar.200860022openalex-snapshot
Characterization of Mixtures Part 1: Prediction of Infinite‐Dilution Activity Coefficients Using Neural Network‐Based QSPR Models
inferred← citeshttps://doi.org/10.1002/qsar.200910023openalex-snapshot
Hydroxamic Acids Analogous Against Breast Cancer Cells: 2D‐QSAR and 3D‐QSAR Studies
inferred← citeshttps://doi.org/10.1007/7081_038openalex-snapshot
QSAR and Molecular Modeling Studies of HIV Protease Inhibitors
inferred← citeshttps://doi.org/10.1007/978-0-387-30440-3_422openalex-snapshot
QSAR Modeling and QSAR Based Virtual Screening, Complexity and Challenges of Modern
inferred← citeshttps://doi.org/10.1007/978-3-031-67841-7_3openalex-snapshot
Chirality Descriptors for Numerical Characterization of Enantiomers and Diastereomers
inferred← citeshttps://doi.org/10.1007/978-3-319-27282-5_37openalex-snapshot
Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment
inferred← citeshttps://doi.org/10.1007/978-94-007-0711-5_37openalex-snapshot
Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment
inferred← citeshttps://doi.org/10.1007/978-94-007-6169-8_37-2openalex-snapshot
Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment
inferred← citeshttps://doi.org/10.1007/978-94-007-6169-8_37-3openalex-snapshot
Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment
inferred← citeshttps://doi.org/10.1007/978-981-19-2320-3_5openalex-snapshot
In Silico Search for Chiral Drug Compounds
inferred← citeshttps://doi.org/10.1007/s00044-008-9151-yopenalex-snapshot
QSAR modeling of anthocyanins, anthocyanidins and catechins as inhibitors of lipid peroxidation using three-dimensional descriptors
inferred← citeshttps://doi.org/10.1007/s00044-010-9350-1openalex-snapshot
QSAR and docking-based computational chemistry approach to novel GABA-AT inhibitors: kNN-MFA-based 3DQSAR model for phenyl-substituted analogs of β-phenylethylidene hydrazine
inferred← citeshttps://doi.org/10.1007/s00044-010-9435-xopenalex-snapshot
3D QSAR kNN-MFA studies on thiouracil derivatives as hepatitis C virus inhibitors
inferred← citeshttps://doi.org/10.1007/s00044-011-9815-xopenalex-snapshot
Insight into the structural requirement of aryltriazolinone derivatives as angiotensin II AT1 receptor: 2D and 3D-QSAR k-Nearest Neighbor Molecular Field Analysis approach
inferred← citeshttps://doi.org/10.1007/s00044-011-9900-1openalex-snapshot
Molecular modeling studies of some substituted chalcone derivatives as cysteine protease inhibitors
inferred← citeshttps://doi.org/10.1007/s00044-012-0226-4openalex-snapshot
Three-dimensional quantitative structure–activity relationship (3D-QSAR) analysis and molecular docking-based combined in silico rational approach to design potent and novel TRPV1 antagonists
inferred← citeshttps://doi.org/10.1007/s00044-013-0609-1openalex-snapshot
Pharmacophore and QSAR modeling of some structurally diverse azaaurones derivatives as anti-malarial activity
inferred← citeshttps://doi.org/10.1007/s00894-016-3159-xopenalex-snapshot
Reduced density gradient as a novel approach for estimating QSAR descriptors, and its application to 1, 4-dihydropyridine derivatives with potential antihypertensive effects
inferred← citeshttps://doi.org/10.1007/s10822-005-9008-0openalex-snapshot
Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures
inferred← citeshttps://doi.org/10.1007/s10910-015-0533-3openalex-snapshot
Novel global and local 3D atom-based linear descriptors of the Minkowski distance matrix: theory, diversity–variability analysis and QSPR applications
inferred← citeshttps://doi.org/10.1007/s10910-023-01531-2openalex-snapshot
Chirality descriptors for structure–activity relationship modeling of bioactive molecules
inferred← citeshttps://doi.org/10.1007/s11030-013-9441-2openalex-snapshot
Toward a general predictive QSAR model for gamma-secretase inhibitors
inferred← citeshttps://doi.org/10.1007/s11771-016-3246-2openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.arabjc.2010.12.005openalex-snapshot
QSAR studies of some side chain modified 7-chloro-4-aminoquinolines as antimalarial agents
inferred← citeshttps://doi.org/10.1016/j.arabjc.2012.04.020openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.arabjc.2013.01.018openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.arabjc.2015.02.016openalex-snapshot
QSAR study of the non-peptidic inhibitors of procollagen C-proteinase based on Multiple linear regression, principle component regression, and partial least squares
inferred← citeshttps://doi.org/10.1016/j.arabjc.2016.09.019openalex-snapshot
Pharmacophore modeling, 3D-QSAR, docking and ADME prediction of quinazoline based EGFR inhibitors
inferred← citeshttps://doi.org/10.1016/j.bmc.2004.09.003openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bmc.2008.11.007openalex-snapshot
QSAR and complex network study of the chiral HMGR inhibitor structural diversity
inferred← citeshttps://doi.org/10.1016/j.bulm.2003.12.003openalex-snapshot
Simple stochastic fingerprints towards mathematical modelling in biology and medicine. 1. The treatment of coccidiosis
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inferred← citeshttps://doi.org/10.1016/j.jmgm.2006.09.007openalex-snapshot
Atom-based stochastic and non-stochastic 3D-chiral bilinear indices and their applications to central chirality codification
inferred← citeshttps://doi.org/10.1016/j.jmgm.2010.01.007openalex-snapshot
A comprehensive structure–activity analysis of protein kinase B-alpha (Akt1) inhibitors
inferred← citeshttps://doi.org/10.1016/j.jmgm.2013.03.005openalex-snapshot
The derivation of a chiral substituent code for secondary alcohols and its application to the prediction of enantioselectivity
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Monte Carlo-based SMILES-driven QSPR modeling of Organic Chromophores across the visible-to- NIR spectral range
inferred← citeshttps://doi.org/10.1016/j.jscs.2011.04.017openalex-snapshot
A comparative QSAR analysis and molecular docking studies of quinazoline derivatives as tyrosine kinase (EGFR) inhibitors: A rational approach to anticancer drug design
inferred← citeshttps://doi.org/10.1016/j.jscs.2011.08.005openalex-snapshot
WITHDRAWN: QSAR studies of a series of angiotensin II receptor substituted benzimidazole bearing acidic heterocycles derivatives
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WITHDRAWN: Structural insights for 5-β-Ketosulfoxide Imidazolyl Biphenyl Sulfonylureas derivatives as angiotensin II AT1 receptor antagonists using kNN-MFA with genetic algorithm
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WITHDRAWN: Structural insight for (6-oxo-3-pyridazinyl)-benzimidazoles derivatives as angiotensin II receptor antagonists: QSAR, pharmacophore identification and kNNMFA approach
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inferred← citeshttps://doi.org/10.1016/j.molstruc.2015.11.072openalex-snapshot
Quantitative structure–activity relationship of the curcumin-related compounds using various regression methods
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inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00229openalex-snapshot
Understanding the Roles of the “Two QSARs”
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00476openalex-snapshot
New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques
inferred← citeshttps://doi.org/10.1021/ci0103469openalex-snapshot
Novel ZE-Isomerism Descriptors Derived from Molecular Topology and Their Application to QSAR Analysis
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inferred← citeshttps://doi.org/10.1021/ci034110bopenalex-snapshot
Spectroscopic QSAR Methods and Self-Organizing Molecular Field Analysis for Relating Molecular Structure and Estrogenic Activity
inferred← citeshttps://doi.org/10.1021/ci034119dopenalex-snapshot
QSAR Study of Catalytic Asymmetric Reactions with Topological Indices
inferred← citeshttps://doi.org/10.1021/ci034203topenalex-snapshot
Combinatorial QSAR of Ambergris Fragrance Compounds
inferred← citeshttps://doi.org/10.1021/ci0501286openalex-snapshot
Three-Dimensional QSAR Using the k-Nearest Neighbor Method and Its Interpretation
inferred← citeshttps://doi.org/10.1021/ci0600511openalex-snapshot
A Steroids QSAR Approach Based on Approximate Similarity Measurements
inferred← citeshttps://doi.org/10.1021/ci300584ropenalex-snapshot
Stereo Signature Molecular Descriptor
inferred← citeshttps://doi.org/10.1021/ci600216hopenalex-snapshot
Refinement and Use of the Approximate Similarity in QSAR Models for Benzodiazepine Receptor Ligands
inferred← citeshttps://doi.org/10.1021/ci700181vopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci700346yopenalex-snapshot
QSAR Models for the Human H+/Peptide Symporter, hPEPT1: Affinity Prediction Using Alignment-Independent Descriptors
inferred← citeshttps://doi.org/10.1039/c1md00135copenalex-snapshot
Chemometric modeling and pharmacophore mapping in coronary heart disease: 2-arylbenzoxazoles as cholesteryl ester transfer protein inhibitors
inferred← citeshttps://doi.org/10.1039/d1an02161copenalex-snapshot
Least absolute shrinkage and selection operator-based prediction of collision cross section values for ion mobility mass spectrometric analysis of lipids
inferred← citeshttps://doi.org/10.1080/00268976.2024.2331620openalex-snapshot
Applications of conceptual density functional theory in reference to quantitative structure–activity / property relationship
inferred← citeshttps://doi.org/10.1080/1062936032000169642openalex-snapshot
Performance of (consensus) kNN QSAR for predicting estrogenic activity in a large diverse set of organic compounds
inferred← citeshttps://doi.org/10.1080/10629360412331319844openalex-snapshot
QSAR Modeling of Datasets with Enantioselective Compounds using Chirality Sensitive Molecular Descriptors
inferred← citeshttps://doi.org/10.1111/cbdd.13505openalex-snapshot
QSAR of clinically important EGFR mutant L858R/T790M pyridinylimidazole inhibitors
inferred← citeshttps://doi.org/10.1111/j.2042-7158.2011.01345.xopenalex-snapshot
The application and limitations of mathematical modelling in the prediction of permeability across mammalian skin and polydimethylsiloxane membranes
inferred← citeshttps://doi.org/10.1142/s0219720010005117openalex-snapshot
COMPOUND ANALYSIS VIA GRAPH KERNELS INCORPORATING CHIRALITY
inferred← citeshttps://doi.org/10.1155/2022/7715689openalex-snapshot
Cytotoxic Evaluation, Molecular Docking, and 2D-QSAR Studies of Dihydropyrimidinone Derivatives as Potential Anticancer Agents
inferred← citeshttps://doi.org/10.1186/1758-2946-1-22openalex-snapshot
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inferred← citeshttps://doi.org/10.1186/s13321-021-00537-9openalex-snapshot
QPHAR: quantitative pharmacophore activity relationship: method and validation
inferred← citeshttps://doi.org/10.2174/0115748855266001231026063520openalex-snapshot
QSAR Studies on Thienopyrimidines as Potential Antimicrobial Agents
inferred← citeshttps://doi.org/10.2174/138161206779010431openalex-snapshot
Development of Quantitative Structure-Activity Relationships and Its Application in Rational Drug Design
inferred← citeshttps://doi.org/10.2174/156802607780906771openalex-snapshot
Medicinal Chemistry and Bioinformatics - Current Trends in Drugs Discovery with Networks Topological Indices
inferred← citeshttps://doi.org/10.2174/157340909787580836openalex-snapshot
Numerical Characterization of Molecular Chirality of Organic Compounds
inferred← citeshttps://doi.org/10.2174/15734099113096660047openalex-snapshot
Graph Theory Concepts in the Rationales of Anti HIV-1 Compounds
inferred← citeshttps://doi.org/10.2174/2212796813666190207144407openalex-snapshot
Investigating Structural Requirements of Some Pyrimidine-linked Benzimidazole Derivatives as Anticancer Agents Against MCF-7 Cancerous Cell Line Through the use of 2D and 3D QSARs
inferred← citeshttps://doi.org/10.22270/jddt.v2i2.118openalex-snapshot
RATIONAL DESIGN OF ANTIBACTERIAL THIENOPYRIMIDINES BY 2D-QSAR STUDY
inferred← citeshttps://doi.org/10.26434/chemrxiv-2023-cs3wbopenalex-snapshot
Molecular Similarity: Theory, Applications, and Perspectives
inferred← citeshttps://doi.org/10.4018/ijqspr.2018070105openalex-snapshot
QSAR Modeling Using Quantum Chemical Descriptors of Benzimidazole Analogues With Antiparasitic Properties
inferred← citeshttps://doi.org/10.5740/jaoacint.sge_goodarziopenalex-snapshot
Feature Selection Methods in QSAR Studies
inferred← citeshttps://doi.org/10.7324/japs.2014.40603openalex-snapshot
Novel Insight into the Structural Requirements of P70S6K Inhibition Using Group-based Quantitative Structure Activity Relationship (GQSAR)
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Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.