On the public citation graph
Applications of the radius-diameter diagram to the classification of topological and geometrical shapes of chemical compounds
0 signed · 155 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/0471266949.bmc002openalex-snapshot
Recent Trends in Quantitative Structure‐Activity Relationships
inferred← citeshttps://doi.org/10.1002/3527601643.ch8openalex-snapshot
Calculation of Structure Descriptors
inferred← citeshttps://doi.org/10.1002/9780470147306.ch5openalex-snapshot
Searching Techniques for Databases of Three‐Dimensional Chemical Structures
inferred← citeshttps://doi.org/10.1002/9783527816880.ch10openalex-snapshot
Calculation of Structure Descriptors
inferred← citeshttps://doi.org/10.1002/cem.1283openalex-snapshot
A knowledge‐based approach for screening chemical structures within de novo molecular evolution
inferred← citeshttps://doi.org/10.1002/chem.202302553openalex-snapshot
Molecular Accessibility and Diffusion of Resorufin in Zeolite Crystals
inferred← citeshttps://doi.org/10.1002/cphc.202300548openalex-snapshot
Critical Assessment of pH‐Dependent Lipophilicity Profiles of Small Molecules: Which One Should We Use and In Which Cases?
inferred← citeshttps://doi.org/10.1002/jcc.21517openalex-snapshot
Alpha sphere filter method: Application of pseudomolecular descriptors in virtual screening of 2D chemical structures
inferred← citeshttps://doi.org/10.1002/minf.201000106openalex-snapshot
Classification of Aurora‐A Kinase Inhibitors Using Self‐Organizing Map (SOM) and Support Vector Machine (SVM)
inferred← citeshttps://doi.org/10.1002/minf.201500107openalex-snapshot
Using Support Vector Machine (SVM) for Classification of Selectivity of H1N1 Neuraminidase Inhibitors
inferred← citeshttps://doi.org/10.1002/minf.201700025openalex-snapshot
Investigating the Importance of the Pocket‐estimation Method in Pocket‐based Approaches: An Illustration Using Pocket‐ligand Classification
inferred← citeshttps://doi.org/10.1002/minf.201700040openalex-snapshot
Statistical Profiling of One Promiscuous Protein Binding Site: Illustrated by Urokinase Catalytic Domain
inferred← citeshttps://doi.org/10.1002/minf.201800090openalex-snapshot
A QSAR Study for Analgesic and Anti‐inflammatory Activities of 5‐/6‐Acyl‐3‐alkyl‐2‐Benzoxazolinone Derivatives
inferred← citeshttps://doi.org/10.1002/qsar.19970160107openalex-snapshot
Description of Vapour Pressures of Polycyclic Aromatic Compounds by Graph Theoretical Indices
inferred← citeshttps://doi.org/10.1002/qsar.200420062openalex-snapshot
QSAR Models for the Analysis of Bioresponse Data from Combinatorial Libraries of Biomaterials
inferred← citeshttps://doi.org/10.1002/qsar.200430013openalex-snapshot
A Quantitative Structure‐Activity Relationship (QSAR) Study of the Antioxidant Activity of Flavonoids
inferred← citeshttps://doi.org/10.1002/qsar.200860048openalex-snapshot
Exploring the QSAR of Pyrazolo[3,4‐b]Pyridine, Pyrazolo[3,4‐b]Pyridone and Pyrazolo[3,4‐b]Pyrimidine Derivatives as Antagonists for A1 Adenosine Receptor
inferred← citeshttps://doi.org/10.1002/qua.23229openalex-snapshot
Receptor binding affinity based comparative QSAR study of testosterone derivatives
inferred← citeshttps://doi.org/10.1007/978-1-4020-9783-6openalex-snapshot
Recent Advances in QSAR Studies
inferred← citeshttps://doi.org/10.1007/978-1-60327-375-6_60openalex-snapshot
High Throughput Screening
inferred← citeshttps://doi.org/10.1007/978-3-642-46808-7_25openalex-snapshot
Similarity Searching in Databases of Three-Dimensional Chemical Structures
inferred← citeshttps://doi.org/10.1007/s00706-007-0782-3openalex-snapshot
Quantitative structure – activity relationship studies on membrane receptors inhibition by antipsychotic drugs. Application to schizophrenia treatment
inferred← citeshttps://doi.org/10.1007/s00894-008-0293-0openalex-snapshot
Modeling the excitation wavelengths (λex) of boronic acids
inferred← citeshttps://doi.org/10.1007/s00894-009-0595-xopenalex-snapshot
New molecular scaffolds for the design of Mycobacterium tuberculosis type II dehydroquinase inhibitors identified using ligand and receptor based virtual screening
inferred← citeshttps://doi.org/10.1007/s10822-008-9199-2openalex-snapshot
Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening
inferred← citeshttps://doi.org/10.1007/s10822-009-9269-0openalex-snapshot
Development and NMR validation of minimal pharmacophore hypotheses for the generation of fragment libraries enriched in heparanase inhibitors
inferred← citeshttps://doi.org/10.1007/s10822-020-00360-8openalex-snapshot
QSAR and molecular docking for the search of AOX inhibitors: a rational drug discovery approach
inferred← citeshttps://doi.org/10.1007/s10953-021-01083-6openalex-snapshot
Molecular Modeling Studies of C-Glycosylfavone Derivatives as GSK-3β Inhibitors Based on QSAR and Docking Analysis
inferred← citeshttps://doi.org/10.1007/s11030-009-9115-2openalex-snapshot
Predictive QSAR workflow for the in silico identification and screening of novel HDAC inhibitors
inferred← citeshttps://doi.org/10.1007/s11030-009-9129-9openalex-snapshot
Design of novel antituberculosis compounds using graph-theoretical and substructural approaches
inferred← citeshttps://doi.org/10.1007/s11030-010-9288-8openalex-snapshot
Discriminating of HMG-CoA reductase inhibitors and decoys using self-organizing maps
inferred← citeshttps://doi.org/10.1007/s11030-012-9404-zopenalex-snapshot
Using self-organizing map (SOM) and support vector machine (SVM) for classification of selectivity of ACAT inhibitors
inferred← citeshttps://doi.org/10.1007/s11051-013-2028-0openalex-snapshot
QSAR studies of the dispersion of SWNTs in different organic solvents
inferred← citeshttps://doi.org/10.1007/s11095-008-9609-0openalex-snapshot
QSAR Modeling of the Blood–Brain Barrier Permeability for Diverse Organic Compounds
inferred← citeshttps://doi.org/10.1007/s11095-009-0034-9openalex-snapshot
Cell-Based Multiscale Computational Modeling of Small Molecule Absorption and Retention in the Lungs
inferred← citeshttps://doi.org/10.1007/s13205-019-1962-7openalex-snapshot
FlavoDb: a web-based chemical repository of flavonoid compounds
inferred← citeshttps://doi.org/10.1016/b978-0-443-18638-7.00022-0openalex-snapshot
Chemical space and molecular descriptors for QSAR studies
inferred← citeshttps://doi.org/10.1016/j.bmc.2009.04.007openalex-snapshot
Clobenpropit analogs as dual activity ligands for the histamine H3 and H4 receptors: Synthesis, pharmacological evaluation, and cross-target QSAR studies
inferred← citeshttps://doi.org/10.1016/j.bmc.2010.08.003openalex-snapshot
QSAR-based solubility model for drug-like compounds
inferred← citeshttps://doi.org/10.1016/j.bmcl.2010.08.050openalex-snapshot
Validated predictive QSAR modeling of N-aryl-oxazolidinone-5-carboxamides for anti-HIV protease activity
inferred← citeshttps://doi.org/10.1016/j.bmcl.2011.02.110openalex-snapshot
Prediction of biological activity of Aurora-A kinase inhibitors by multilinear regression analysis and support vector machine
inferred← citeshttps://doi.org/10.1016/j.bmcl.2013.04.087openalex-snapshot
Prediction of bioactivity of ACAT2 inhibitors by multilinear regression analysis and support vector machine
inferred← citeshttps://doi.org/10.1016/j.chembiol.2003.08.009openalex-snapshot
Biological Mechanism Profiling Using an Annotated Compound Library
inferred← citeshttps://doi.org/10.1016/j.chroma.2007.10.037openalex-snapshot
Investigation of multi-modal high-salt binding ion-exchange chromatography using quantitative structure–property relationship modeling
inferred← citeshttps://doi.org/10.1016/j.compbiomed.2010.09.004openalex-snapshot
The computational model to predict accurately inhibitory activity for inhibitors towardsCYP3A4
inferred← citeshttps://doi.org/10.1016/j.dnarep.2017.10.002openalex-snapshot
Structure-activity relationships among DNA ligase inhibitors: Characterization of a selective uncompetitive DNA ligase I inhibitor
inferred← citeshttps://doi.org/10.1016/j.ejmech.2010.04.024openalex-snapshot
Validated QSAR analysis of some diaryl substituted pyrazoles as CCR2 inhibitors by various linear and nonlinear multivariate chemometrics methods
inferred← citeshttps://doi.org/10.1016/j.ejmech.2012.06.037openalex-snapshot
Classification of Aurora kinase inhibitors by self-organizing map (SOM) and support vector machine (SVM)
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2024.124722openalex-snapshot
Virtual screening of drug materials for pharmaceutical tablet manufacturability with reference to sticking
inferred← citeshttps://doi.org/10.1016/j.jep.2020.112889openalex-snapshot
Antiadhesive natural products against uropathogenic E. coli: What can we learn from cranberry extract?
inferred← citeshttps://doi.org/10.1016/j.jmgm.2015.06.002openalex-snapshot
Molecular descriptors calculation as a tool in the analysis of the antileishmanial activity achieved by two series of diselenide derivatives. An insight into its potential action mechanism
inferred← citeshttps://doi.org/10.1016/j.jphotochem.2012.11.018openalex-snapshot
Environmental aspects on the photodegradation of reactive triazine dyes in aqueous media
inferred← citeshttps://doi.org/10.1016/j.jtbi.2014.04.021openalex-snapshot
Constructing a linear QSAR for some metabolizable drugs by human or pig flavin-containing monooxygenases using some molecular features selected by a genetic algorithm trained SVM
inferred← citeshttps://doi.org/10.1016/j.memsci.2023.122024openalex-snapshot
Capturing unmodelled phenomena: A hybrid approach for the prediction of the transport through ceramic membranes in organic solvent nanofiltration
inferred← citeshttps://doi.org/10.1016/j.microc.2020.105002openalex-snapshot
Modeling an in silico platform to predict chromatographic profiles of UV filters using ChromSimulator
inferred← citeshttps://doi.org/10.1016/j.molliq.2025.127074openalex-snapshot
Influence of molecular shape on the melting thermodynamics of non-associated organic compounds
inferred← citeshttps://doi.org/10.1016/j.reactfunctpolym.2017.08.002openalex-snapshot
Prediction of the char formation of polybenzoxazines: The effect of heterogeneities in the crosslinked network to the prediction accuracy in quantitative structure-properties relationship (QSPR) model
inferred← citeshttps://doi.org/10.1016/s1093-3263(00)00068-1openalex-snapshot
A widely applicable set of descriptors
inferred← citeshttps://doi.org/10.1021/ac0341564openalex-snapshot
Identification of Chemically Selective Displacers Using Parallel Batch Screening Experiments and Quantitative Structure Efficacy Relationship Models
inferred← citeshttps://doi.org/10.1021/acs.analchem.4c05176openalex-snapshot
AI-Enhanced Understanding of Retention Interactions in Supercritical Fluid Chromatography: Neural Network Insights into Retention on Selected Non-Polar Stationary Phases
inferred← citeshttps://doi.org/10.1021/acs.analchem.5c00152openalex-snapshot
Artificial Neural Networks: An Innovative Approach Used for Elucidation of Ionization Processes in Supercritical Fluid Chromatography-Mass Spectrometry
inferred← citeshttps://doi.org/10.1021/acs.jafc.4c08527openalex-snapshot
Structural Similarity, Activity, and Toxicity of Mycotoxins: Combining Insights from Unsupervised and Supervised Machine Learning Algorithms
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c00231openalex-snapshot
Temperature-Dependent Density and Viscosity Prediction for Hydrocarbons: Machine Learning and Molecular Dynamics Simulations
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b01068openalex-snapshot
Viscosity Prediction of Lubricants by a General Feed-Forward Neural Network
inferred← citeshttps://doi.org/10.1021/acsomega.0c01323openalex-snapshot
2D-QSAR Modeling and Molecular Docking Studies on 1 H -Pyrazole-1-carbothioamide Derivatives as EGFR Kinase Inhibitors
inferred← citeshttps://doi.org/10.1021/ci000082aopenalex-snapshot
Novel Chirality Descriptors Derived from Molecular Topology
inferred← citeshttps://doi.org/10.1021/ci000156iopenalex-snapshot
3D Connectivity Indices in QSPR/QSAR Studies
inferred← citeshttps://doi.org/10.1021/ci000170vopenalex-snapshot
Can 3D Structural Parameters Be Predicted from 2D (Topological) Molecular Descriptors?
inferred← citeshttps://doi.org/10.1021/ci000322mopenalex-snapshot
Molecular Descriptors for Effective Classification of Biologically Active Compounds Based on Principal Component Analysis Identified by a Genetic Algorithm
inferred← citeshttps://doi.org/10.1021/ci000327jopenalex-snapshot
Evaluation of Descriptors and Mini-Fingerprints for the Identification of Molecules with Similar Activity
inferred← citeshttps://doi.org/10.1021/ci0003303openalex-snapshot
Distinguishing between Natural Products and Synthetic Molecules by Descriptor Shannon Entropy Analysis and Binary QSAR Calculations
inferred← citeshttps://doi.org/10.1021/ci010248nopenalex-snapshot
Accurate Partitioning of Compounds Belonging to Diverse Activity Classes
inferred← citeshttps://doi.org/10.1021/ci0103469openalex-snapshot
Novel ZE-Isomerism Descriptors Derived from Molecular Topology and Their Application to QSAR Analysis
inferred← citeshttps://doi.org/10.1021/ci020372mopenalex-snapshot
Classification of Biologically Active Compounds by Median Partitioning
inferred← citeshttps://doi.org/10.1021/ci030285+openalex-snapshot
Design and Evaluation of a Molecular Fingerprint Involving the Transformation of Property Descriptor Values into a Binary Classification Scheme
inferred← citeshttps://doi.org/10.1021/ci034203topenalex-snapshot
Combinatorial QSAR of Ambergris Fragrance Compounds
inferred← citeshttps://doi.org/10.1021/ci034260mopenalex-snapshot
Drug-like Annotation and Duplicate Analysis of a 23-Supplier Chemical Database Totalling 2.7 Million Compounds
inferred← citeshttps://doi.org/10.1021/ci0342876openalex-snapshot
SVM-Based Feature Selection for Characterization of Focused Compound Collections
inferred← citeshttps://doi.org/10.1021/ci050082gopenalex-snapshot
Investigation of DNA-Binding Properties of an Aminoglycoside-Polyamine Library Using Quantitative Structure−Activity Relationship (QSAR) Models
inferred← citeshttps://doi.org/10.1021/ci050367topenalex-snapshot
Collaborative Filtering on a Family of Biological Targets
inferred← citeshttps://doi.org/10.1021/ci0504317openalex-snapshot
Combinatorial QSAR Modeling of P-Glycoprotein Substrates
inferred← citeshttps://doi.org/10.1021/ci050450gopenalex-snapshot
Quantitative Structure−Activity Relationship Studies on Inhibition of HERG Potassium Channels
inferred← citeshttps://doi.org/10.1021/ci500487qopenalex-snapshot
Which Three-Dimensional Characteristics Make Efficient Inhibitors of Protein–Protein Interactions?
inferred← citeshttps://doi.org/10.1021/ci5006004openalex-snapshot
PockDrug: A Model for Predicting Pocket Druggability That Overcomes Pocket Estimation Uncertainties
inferred← citeshttps://doi.org/10.1021/ci600563wopenalex-snapshot
Ensemble Feature Selection: Consistent Descriptor Subsets for Multiple QSAR Models
inferred← citeshttps://doi.org/10.1021/ci700010topenalex-snapshot
Ligand-Based Models for the Isoform Specificity of Cytochrome P450 3A4, 2D6, and 2C9 Substrates
inferred← citeshttps://doi.org/10.1021/ci700404copenalex-snapshot
Combinatorial QSAR Modeling of Specificity and Subtype Selectivity of Ligands Binding to Serotonin Receptors 5HT1E and 5HT1F
inferred← citeshttps://doi.org/10.1021/ci800366fopenalex-snapshot
Novel Inhibitors of Human Histone Deacetylase (HDAC) Identified by QSAR Modeling of Known Inhibitors, Virtual Screening, and Experimental Validation
inferred← citeshttps://doi.org/10.1021/ci900299aopenalex-snapshot
Comparison of Multilabel and Single-Label Classification Applied to the Prediction of the Isoform Specificity of Cytochrome P450 Substrates
inferred← citeshttps://doi.org/10.1021/ci960049hopenalex-snapshot
Eccentric Connectivity Index: A Novel Highly Discriminating Topological Descriptor for Structure−Property and Structure−Activity Studies
inferred← citeshttps://doi.org/10.1021/jm020491topenalex-snapshot
Development and Validation of k-Nearest-Neighbor QSPR Models of Metabolic Stability of Drug Candidates
inferred← citeshttps://doi.org/10.1021/jm0582165openalex-snapshot
Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures
inferred← citeshttps://doi.org/10.1021/jm100600yopenalex-snapshot
Development, Validation, and Use of Quantitative Structure−Activity Relationship Models of 5-Hydroxytryptamine (2B) Receptor Ligands to Identify Novel Receptor Binders and Putative Valvulopathic Compounds among Common Drugs
inferred← citeshttps://doi.org/10.1021/jm700991kopenalex-snapshot
Activity of Sulfonium Bisphosphonates on Tumor Cell Lines
inferred← citeshttps://doi.org/10.1021/jm8009074openalex-snapshot
Bisphosphonate Inhibition of aPlasmodiumFarnesyl Diphosphate Synthase and a General Method for Predicting Cell-Based Activity from Enzyme Data
inferred← citeshttps://doi.org/10.1021/jm901379sopenalex-snapshot
Synthesis and QSAR of Quinazoline Sulfonamides As Highly Potent Human Histamine H 4 Receptor Inverse Agonists
inferred← citeshttps://doi.org/10.1023/a:1020869118689openalex-snapshot
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
inferred← citeshttps://doi.org/10.1023/a:1021372108686openalex-snapshot
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
inferred← citeshttps://doi.org/10.1039/c6cp07572jopenalex-snapshot
Zeolite molecular accessibility and host–guest interactions studied by adsorption of organic probes of tunable size
inferred← citeshttps://doi.org/10.1039/d3fd00023kopenalex-snapshot
A substrate descriptor based approach for the prediction and understanding of the regioselectivity in caged catalyzed hydroformylation
inferred← citeshttps://doi.org/10.1051/ro:2002001openalex-snapshot
Agrégation des similarités : une solution oubliée
inferred← citeshttps://doi.org/10.1080/10629369808033259openalex-snapshot
Topological and Stereochemical Molecular Descriptors for Databases Useful in QSAR, Similarity/Dissimilarity and Drug Design
inferred← citeshttps://doi.org/10.1080/1062936x.2012.729224openalex-snapshot
In-silico prediction of blood–brain barrier permeability
inferred← citeshttps://doi.org/10.1080/1062936x.2014.942695openalex-snapshot
Computational models on quantitative prediction of bioactivity of HIV-1 integrase 3’ processing inhibitors
inferred← citeshttps://doi.org/10.1089/cmb.2017.0061openalex-snapshot
Cavity Versus Ligand Shape Descriptors: Application to Urokinase Binding Pockets
inferred← citeshttps://doi.org/10.1093/bib/bbaa374openalex-snapshot
QSAR-assisted-MMPA to expand chemical transformation space for lead optimization
inferred← citeshttps://doi.org/10.1093/bib/bbab112openalex-snapshot
Hyperbolic relational graph convolution networks plus: a simple but highly efficient QSAR-modeling method
inferred← citeshttps://doi.org/10.1093/bioinformatics/btt644openalex-snapshot
Computing cavities, channels, pores and pockets in proteins from non-spherical ligands models
inferred← citeshttps://doi.org/10.1109/cec.2006.1688651openalex-snapshot
Evolved Neural Networks for High Throughput Anti-HIV Ligand Screening
inferred← citeshttps://doi.org/10.1109/icinfa.2008.4608293openalex-snapshot
SVM feature selection and sample regression for Chinese medicine research
inferred← citeshttps://doi.org/10.1109/ijcnn.2008.4634050openalex-snapshot
COX-2 activity prediction in Chinese medicine using neural network based ensemble learning methods
inferred← citeshttps://doi.org/10.1109/tcbb.2007.1038openalex-snapshot
High-Throughput Ligand Screening via Preclustering and Evolved Neural Networks
inferred← citeshttps://doi.org/10.1111/1750-3841.12199openalex-snapshot
Prediction of Sweetness by Multilinear Regression Analysis and Support Vector Machine
inferred← citeshttps://doi.org/10.1111/cbdd.13580openalex-snapshot
In silico structure‐based design of GABAB receptor agonists using a combination of docking and QSAR
inferred← citeshttps://doi.org/10.1126/sciadv.adu4391openalex-snapshot
A high-throughput experimentation platform for data-driven discovery in electrochemistry
inferred← citeshttps://doi.org/10.1128/aac.01530-12openalex-snapshot
The Two-Component System CprRS Senses Cationic Peptides and Triggers Adaptive Resistance in Pseudomonas aeruginosa Independently of ParRS
inferred← citeshttps://doi.org/10.1134/s0036024424701498openalex-snapshot
Predicting the Thermodynamic Characteristics of New Products of N,N-Dimethylhydrazine Transformation in the Gas Phase
inferred← citeshttps://doi.org/10.1155/2019/9858371openalex-snapshot
Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
inferred← citeshttps://doi.org/10.1177/1934578x1601101014openalex-snapshot
Structural Features for Furan-Derived Fruity and Meaty Aroma Impressions
inferred← citeshttps://doi.org/10.1186/1752-153x-1-11openalex-snapshot
Predicting olfactory receptor neuron responses from odorant structure
inferred← citeshttps://doi.org/10.1186/s12900-016-0055-7openalex-snapshot
Structuprint: a scalable and extensible tool for two-dimensional representation of protein surfaces
inferred← citeshttps://doi.org/10.1186/s13321-023-00737-5openalex-snapshot
PyL3dMD: Python LAMMPS 3D molecular descriptors package
inferred← citeshttps://doi.org/10.1248/cpb.56.1490openalex-snapshot
Structural Development of Benzhydrol-Type 1'-Acetoxychavicol Acetate (ACA) Analogs as Human Leukemia Cell-Growth Inhibitors Based on Quantitative Structure-Activity Relationship (QSAR) Analysis
inferred← citeshttps://doi.org/10.1248/cpb.c12-00475openalex-snapshot
Poly(DL-lactide-co-glycolic acid) Nanoparticle Design and Payload Prediction: A Molecular Descriptor Based Study
inferred← citeshttps://doi.org/10.13070/rs.en.1.996openalex-snapshot
Essential Set of Molecular Descriptors for ADME Prediction in Drug and Environmental Chemical Space
inferred← citeshttps://doi.org/10.1371/journal.pone.0319673openalex-snapshot
Enhancing ERα-targeted compound efficacy in breast cancer threapy with ExplainableAI and GeneticAlgorithm
inferred← citeshttps://doi.org/10.1385/1-59259-802-1:131openalex-snapshot
Methods for Applying the Quantitative Structure-Activity Relationship Paradigm
inferred← citeshttps://doi.org/10.1385/1-59259-802-1:261openalex-snapshot
Derivation and Applications of Molecular Descriptors Based on Approximate Surface Area
inferred← citeshttps://doi.org/10.1501/eczfak_0000000021openalex-snapshot
Antioksidan etkili melatonin türevi bazı bileşiklerin yapı-etki ilişkileri: structure-activity relationships of antioxidant effective some melatonin derivatives
inferred← citeshttps://doi.org/10.17615/tkd5-e303openalex-snapshot
Cheminformatics Modeling of Diverse and Disparate Biological Data and the Use of Models to Discover Novel Bioactive Molecules
inferred← citeshttps://doi.org/10.17615/w4vm-f755openalex-snapshot
The QSARome of the receptorome: Quantitative structure-activity relationship modeling of multiple ligand sets acting at multiple receptors
inferred← citeshttps://doi.org/10.17615/xtc7-2969openalex-snapshot
In silico strategies to study polypharmacology of G-protein-coupled receptors
inferred← citeshttps://doi.org/10.2478/v10007-012-0024-zopenalex-snapshot
Quantitative structure-pharmacokinetic relationship (QSPkP) analysis of the volume of distribution values of anti-infective agents from j group of the ATC classification in humans
inferred← citeshttps://doi.org/10.26434/chemrxiv-2023-54gv8-v2openalex-snapshot
Critical Assessment of pH-Dependent Lipophilic Profiles of Small Molecules for Drug Design: Which One Should We Use and In Which Cases?
inferred← citeshttps://doi.org/10.26434/chemrxiv-2024-1pxc6openalex-snapshot
Development of QSAR Models on the Fouling-Release Performance of Silicone Oil-modified Siloxane Polyurethane Coatings
inferred← citeshttps://doi.org/10.3109/14756361003724760openalex-snapshot
Prediction of the relationship between the structural features of andrographolide derivatives and α-glucosidase inhibitory activity: A quantitative structure-activity relationship (QSAR) Study
inferred← citeshttps://doi.org/10.32732/ase.2020.12.1.28openalex-snapshot
Dibenzoylhydrazines as Insect Growth Modulators: Topology-Based QSAR Modelling
inferred← citeshttps://doi.org/10.3390/ijms241713548openalex-snapshot
Human Endocrine-Disrupting Effects of Phthalate Esters through Adverse Outcome Pathways: A Comprehensive Mechanism Analysis
inferred← citeshttps://doi.org/10.3390/org6020013openalex-snapshot
Synthesis and In Silico Evaluation of GABA, Pregabalin and Baclofen N-Heterocyclic Analogues as GABAB Receptor Agonists
inferred← citeshttps://doi.org/10.3390/ph16111632openalex-snapshot
Discovery of Guanfacine as a Novel TAAR1 Agonist: A Combination Strategy through Molecular Modeling Studies and Biological Assays
inferred← citeshttps://doi.org/10.3390/sym14020362openalex-snapshot
Exploration of the Structural Asymmetry Induced by the Intrinsic Flexibility of HIV-2 Protease
inferred← citeshttps://doi.org/10.5012/bkcs.2011.32.7.2397openalex-snapshot
Development of kNN QSAR Models for 3-Arylisoquinoline Antitumor Agents
inferred← citeshttps://doi.org/10.5451/unibas-005159310openalex-snapshot
Prediction of transport, pharmacokinetics, and effect of drugs
inferred← citeshttps://doi.org/10.5451/unibas-005676976openalex-snapshot
"In silico" prediction of drug transport across physiological barriers
inferred← citeshttps://doi.org/10.56042/ijbb.v61i7.1382openalex-snapshot
QSAR and molecular docking studies on pyrimidine and pyrrolidine derivatives as potent inhibitors of influenza virus neuraminidase
inferred← citeshttps://doi.org/10.59277/rjb.2023.1.01openalex-snapshot
2D QSAR STUDY OF FUSED 5,6-BICYCLIC HETEROCYCLES AS ANTI ALZHEIMER’S AGENTS USING TOPOLOGICAL PARAMETERS
inferred← citeshttps://doi.org/10.6084/m9.figshare.26607286openalex-snapshot
Additional file 1 of PyL3dMD: Python LAMMPS 3D molecular descriptors package
Editorial review for independent work. ICSAC — the Institute for Complexity
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.