yusuke1997/dblp-id-title huggingface dataset:
Transplant-Insert-Constrain-Relax-Assemble (TICRA): Protein-Ligand Complex Structure Modeling and Application to Kinases
Binary Classification of a Large Collection of Environmental Chemicals from Estrogen Receptor Assays by Quantitative Structure-Activity Relationship and Machine Learning Methods
Deep Learning-Based Ligand Design Using Shared Latent Implicit Fingerprints from Collaborative Filtering
HSQC Spectra Simulation and Matching for Molecular Identification
Histone Deacetylase Inhibitors: Structure-Based Modeling and Isoform-Selectivity Prediction
MARS Plus: An Improved Molecular Design Tool for Complex Compounds Involving Ionic, Stereo, and Cis-Trans Isomeric Structures
Combined Structure and Ligand-Based Design of Selective Acetylcholinesterase Inhibitors
Time-Resolved Profiles in Modulated Polarization Spectroscopy
Assessing Alkene Reactivity toward Cytochrome P450-Mediated Epoxidation through Localized Descriptors and Regression Modeling
JenPep: A Novel Computational Information Resource for Immunobiology and Vaccinology
Ligand- and Structure-Based Analysis of Deep Learning-Generated Potential α2a Adrenoceptor Agonists
Specificity and Reactivity of Mycobacterium tuberculosis Serine/Threonine Kinases PknG and PknB
Intermolecular 3D-MoRSE Descriptors for Fast and Accurate Prediction of Electronic Couplings in Organic Semiconductors
Roughness of Molecular Property Landscapes and Its Impact on Modellability
On the Optimal Partitioning of Data with K-Means, Growing K-Means, Neural Gas, and Growing Neural Gas
How Well Can We Predict Mass Spectra from Structures? Benchmarking Competitive Fragmentation Modeling for Metabolite Identification on Untrained Tandem Mass Spectra
PENG: A Neural Gas-Based Approach for Pharmacophore Elucidation. Method Design, Validation, and Virtual Screening for Novel Ligands of LTA4H
MolDiA: A Novel Molecular Diversity Analysis Tool, 1. Principles and Architecture
Flexible CDOCKER: Hybrid Searching Algorithm and Scoring Function with Side Chain Conformational Entropy
Molecular Modeling Study of Dihydrofolate Reductase Inhibitors. Molecular Dynamics Simulations, Quantum Mechanical Calculations, and Experimental Corroboration
Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput Screening
Active Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand-Binding Affinities
A Multivariate Analysis of HIV-1 Protease Inhibitors and Resistance Induced by Mutation
IChemPIC: A Random Forest Classifier of Biological and Crystallographic Protein-Protein Interfaces
Development of Surface-SFED Models for Polar Solvents
Structural Stability and Flexibility Direct the Selection of Activating Mutations in Epidermal Growth Factor Receptor Kinase
Simulating the Skin Permeation Process of Ionizable Molecules
Enhancing the Affinity of a Novel Selective scFv for Soluble ST2 through Computational Design
High Resolution Prediction of Calcium-Binding Sites in 3D Protein Structures Using FEATURE
Navigating the Fragrance Space Using Graph Generative Models and Predicting Odors
Proposal of a 3D Peptide Pharmacophore of Muramyl Dipeptide-Type Immunostimulants. 2. Computer Docking to a Model Protein Binding Site
New Invariant of DNA Sequences
On the Properties of Bit String-Based Measures of Chemical Similarity
DeepScaffold: A Comprehensive Tool for Scaffold-Based De Novo Drug Discovery Using Deep Learning
Structure-Based Consensus Scoring Scheme for Selecting Class A Aminergic GPCR Fragments
Comparing the Information Content of Two Large Olfactory Databases
Structural Insight into the Unique Binding Properties of Pyridylethanol(phenylethyl)amine Inhibitor in Human CYP51
In Search of Novel CDK8 Inhibitors by Virtual Screening
Elucidating Molecular Overlays from Pairwise Alignments Using a Genetic Algorithm
Assessing Aquatic Baseline Toxicity of Plastic-Associated Chemicals: Development and Validation of the Target Plastic Model
Systematic Exploration of Protein Conformational Space Using a Distance Geometry Approach
PDB2ENTROPY and PDB2TRENT: Conformational and Translational-Rotational Entropy from Molecular Ensembles
Dissecting the Effect of ALS Mutation G335D on the Early Aggregation of the TDP-43 Amyloidogenic Core Peptide: Helix-to-β-Sheet Transition and Conformational Shift
Atom-Type-Based AI Topological Descriptors: Application in Structure-Boiling Point Correlations of Oxo Organic Compounds
Simulation of infrared spectra: an infrared spectral simulation program (SIRS) which uses DARC topological substructures
A New Discrete-Geometry Approach for Integrative Docking of Proteins Using Chemical Cross-Links
An On-Line System for Storage and Retrieval of Polymer Data
The Journal and Its Possible Future
Interaction Model Based on Local Protein Substructures Generalizes to the Entire Structural Enzyme-Ligand Space
Tapping on the Black Box: How Is the Scoring Power of a Machine-Learning Scoring Function Dependent on the Training Set?
PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties
Optimizing On-the-Fly Probability Enhanced Sampling for Complex RNA Systems: Sampling Free Energy Surfaces of an H-Type Pseudoknot
Solvation Energetic Costs of Cognate Binding Site Formation
SPROUT: 3D Structure Generation Using Templates
DARC-SYNOPSYS. Designing specific reaction data banks: application to KETO-REACT
Subtype Selectivity of Dopamine Receptor Ligands: Insights from Structure and Ligand-Based Methods
Investigating Reliable Conditions for HEWL as an Amyloid Model in Computational Studies and Drug Interactions
Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method
A Multi-Objective Genetic Algorithm for Outlier Removal
Impact of System Size on the Biophysical Properties of Multicomponent Lipid Bilayers: A Systematic Study Using Molecular Dynamics Simulations
Ligand Entropy Is Hard but Should Not Be Ignored
Discovery of Hit Compounds Targeting the P4 Allosteric Site of K-RAS, Identified through Ensemble-Based Virtual Screening
Adaptive BP-Dock: An Induced Fit Docking Approach for Full Receptor Flexibility
A steric model for the prediction of stereoselectivity at carbonyl carbons in cyclic compounds
Real-World Molecular Out-Of-Distribution: Specification and Investigation
Searching the Literature for Concepts
Reliable In Silico Ranking of Engineered Therapeutic TCR Binding Affinities with MMPB/GBSA
Modeling Steric and Electronic Effects in 3D- and 4D-QSAR Schemes: Predicting Benzoic p K a Values and Steroid CBG Binding Affinities
List Operations on Chemical Graphs, 6. Comparative Study of Combinatorial Topological Indexes of the Hosoya Type
Generation of Molecular Graphs for QSAR Studies: An Approach Based on Supergraphs
PharmaCore: The Automatic Generation of 3D Structure-Based Pharmacophore Models from Protein/Ligand Complexes
Topological Study of the Periodic System
Molecular Parameters Responsible for the Melting Point of 1, 2, 3-Diazaborine Compounds
Enhanced 3D-Databases: A Fully Electrostatic Database of AM1-Optimized Structures
Drug-Target Affinity Prediction Based on Topological Enhanced Graph Neural Networks
Targets Looking for Drugs: A Multistep Computational Protocol for the Development of Structure-Based Pharmacophores and Their Applications for Hit Discovery
Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model
Determination of Abraham Solute Parameters from Molecular Structure
History of Abstracting at Chemical Abstracts Service
Crystal Structure Prediction Using a Self-Attention Neural Network and Semantic Segmentation
Models for the representation of knowledge about chemical reactions
GM-Pep: A High Efficiency Strategy to De Novo Design Functional Peptide Sequences
COSMO sim3D : 3D-Similarity and Alignment Based on COSMO Polarization Charge Densities
Identifying Metal Binding Sites in Proteins Using Homologous Structures, the MADE Approach
Similarity Measures for Rational Set Selection and Analysis of Combinatorial Libraries: The Diverse Property-Derived (DPD) Approach
MLDSPP: Bacterial Promoter Prediction Tool Using DNA Structural Properties with Machine Learning and Explainable AI
Aligning the Symmetry of the Type III Secretion System Needle Complex
PADFrag: A Database Built for the Exploration of Bioactive Fragment Space for Drug Discovery
Structure of POPC Lipid Bilayers in OPLS3e Force Field
ExtractionScore: A Quantitative Framework for Evaluating Synthetic Routes on Predicted Liquid-Liquid Extraction Performance
Theoretical Studies on the Susceptibility of Oseltamivir against Variants of 2009 A/H1N1 Influenza Neuraminidase
Active Site Pressurization: A New Tool for Structure-Guided Drug Design and Other Studies of Protein Flexibility
A Novel Cylindrical Representation for Characterizing Intrinsic Properties of Protein Sequences
Molecular topological index
Chemical inference. 3. Formalization of the language of relational chemistry: ontology and algebra
Structure and Energetics of PET-Hydrolyzing Enzyme Complexes: A Systematic Comparison from Molecular Dynamics Simulations
Light Chain Mutation Effects on the Dynamics of Thrombin
Flooding Enzymes: Quantifying the Contributions of Interstitial Water and Cavity Shape to Ligand Binding Using Extended Linear Response Free Energy Calculations
MoleGuLAR: Molecule Generation Using Reinforcement Learning with Alternating Rewards
Estimation of Kováts Retention Indices Using Group Contributions
lwreg: A Lightweight System for Chemical Registration and Data Storage
ZEOBUILDER: A GUI Toolkit for the Construction of Complex Molecular Structures on the Nanoscale with Building Blocks
Shape-Based Generative Modeling for de Novo Drug Design
Interpretable Molecular Property Predictions Using Marginalized Graph Kernels
Binding of SARS-CoV-1/2 NSP1 to DNA Polymerase α-Primase Inhibits DNA Replication through Reduction of Interaction between DNA and DNA Polymerase α-Primase
ChemFlow─From 2D Chemical Libraries to Protein-Ligand Binding Free Energies
Effect of Data Standardization on Chemical Clustering and Similarity Searching
Syntax to facilitate the word processing of chemical formulas
Observing Noncovalent Interactions in Experimental Electron Density for Macromolecular Systems: A Novel Perspective for Protein-Ligand Interaction Research
GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods
Kick-Fukui: A Fukui Function-Guided Method for Molecular Structure Prediction
Automatic Prediction of Molecular Properties Using Substructure Vector Embeddings within a Feature Selection Workflow
Clustering of Synthetic Routes Using Tree Edit Distance
Cyclosporin A: Conformational Complexity and Chameleonicity
Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography
Discovering Putative Protein Targets of Small Molecules: A Study of the p53 Activator Nutlin
ThermoSeek: An Integrated Web Resource for Sequence and Structural Analysis of Proteins from Thermophilic Species
Prediction of Hydroxyl Radical Rate Constants from Molecular Structure
Application of a digital 1H-NMR spectrum to the survival test of substructures and the assignment test
Supervised Feature Ranking Using a Genetic Algorithm Optimized Artificial Neural Network
Structural Investigation of the Dopamine-2 Receptor Agonist Bromocriptine Binding to Dimeric D2HighR and D2LowR States
A Simple Algorithm for Superimposing Sets of NMR Derived Structures: Its Application to the Conformational Study of Cephalomannine in Lipophobic and Lipophilic Solution
Impact of the Astaxanthin, Betanin, and EGCG Compounds on Small Oligomers of Amyloid Aβ40 Peptide
Accurate Prediction of Biological Assays with High-Throughput Microscopy Images and Convolutional Networks
Model Tool to Describe Chemical Structures in XML Format Utilizing Structural Fragments and Chemical Ontology
Simultaneous Prediction of Interaction Sites on the Protein and Peptide Sides of Complexes through Multilayer Graph Convolutional Networks
The Characteristic Polynomial as a Structure Discriminator
Table of Periodic Properties of Fullerenes Based on Structural Parameters
Entabolons: How Metabolites Modify the Biochemical Function of Proteins and Cause the Correlated Behavior of Proteins in Pathways
EMBM - A New Enzyme Mechanism-Based Method for Rational Design of Chemical Sites of Covalent Inhibitors
The Purchasable Chemical Space: A Detailed Picture
Use of Neural Networks for Quantitative Measurements in Ion Mobility Spectrometry (IMS)
Substructure Mining Using Elaborate Chemical Representation
What the Patent Attorney Needs from a Patent Information Point of View
In Silico Prediction of Blood-Brain Barrier Permeation Using the Calculated Molecular Cross-Sectional Area as Main Parameter
Accurate Specification of Molecular Structures: The Case for Zero-Order Bonds and Explicit Hydrogen Counting
Efficient Calculation of Molecular Properties from Simulation Using Kernel Molecular Dynamics
Molecular Modeling: Principles and Applications By Andrew R. Leach. Addison Wesley Longman Limited: Essex, England, 1996, 595 pp. ISBN 0-582-23933-8
The Application of Machine Learning in Doping Detection
Probe into the Molecular Mechanism of Ibuprofen Interaction with Warfarin Bound to Human Serum Albumin in Comparison to Ascorbic and Salicylic Acids: Allosteric Inhibition of Anticoagulant Release
Computational Models for Activated Human MEK1: Identification of Key Active Site Residues and Interactions
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
Rigorous Deduction Theory for Assignment of Multidimensional NMR Spectra Using the Independent Spin Coupling Network Approach
Three-Dimensional Moments of Molecular Property Fields
Theoretical Study on the Key Influence of Ionic Liquid on the Synthesis Method of HMX by DPT
Design of Peptides that Fold and Self-Assemble on Graphite
Quantum Chemical Calculations with Machine Learning for Multipolar Electrostatics Prediction in RNA: An Application to Pentose
Development of a Fourier transform NMR Instrument simulator
Graph Theoretical Matrices in Chemistry By Dušanka Janežič, Ante Miličević, Sonja Nikolić, and Nenad Trinajstić. Mathematical Chemistry Monographs MCM-3, Series Editor Ivan Gutman. Faculty of Science, University of Kragujevac: Kragujevac, Serbia, 2007. vi + 205 pp. ISBN 978-96-81829-72-1. Hardcover, U.S. $95.00
End-User Customized Chemistry Journal Articles
Computer storage and retrieval of generic chemical structures in patents, 2. GENSAL, a formal language for the description of generic chemical structures
Robust Chemical Reaction Condition Recommendations via Label Mix Strategy
Allosteric Response of DNA Recognition Helices of Catabolite Activator Protein to cAMP and DNA Binding
Toward Understanding the Impact of Dimerization Interfaces in Angiotensin II Type 1 Receptor
MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder
"Blade of Polarized Water Molecule" Is the Key to Hydrolase Catalysis Regulation
How Does the Recently Discovered Peptide MIP Exhibit Much Higher Binding Affinity than an Anticancer Protein p53 for an Oncoprotein MDM2?
Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of Finite-Size Particles
Polymer Nomenclature, Classification, and Retrieval in the Du Pont Central Report Index
Using Protochirons for Three-Dimensional Coding of Certain Chemical Structures
Superpendentic Index: A Novel Topological Descriptor for Predicting Biological Activity
Computational Screening and Selection of Cyclic Peptide Hairpin Mimetics by Molecular Simulation and Kinetic Network Models
Activity Map and Transition Pathways of G Protein-Coupled Receptor Revealed by Machine Learning
Interactive Interface for Graph-Based Analyses of Dynamic H-Bond Networks: Application to Spike Protein S
Data Mining of Protein-Binding Profiling Data Identifies Structural Modifications that Distinguish Selective and Promiscuous Compounds
Full Enzyme Complex Simulation: Interactions in Human Pyruvate Dehydrogenase Complex
Secondary Binding Site of CYP17A1 in Enhanced Sampling Simulations
Prediction of UV and ESI-MS Signal Intensities
Mechanism of Vitamin D Receptor Ligand-Binding Domain Regulation Studied by gREST Simulations
Development of a Fluctuating Charge Model for Zinc-Containing Metalloproteins
Exploring Polypharmacology Using a ROCS-Based Target Fishing Approach
Search for Novel Aminoglycosides by Combining Fragment-Based Virtual Screening and 3D-QSAR Scoring
Quasiclassical Correlation Functions from the Wigner Density Using the Stability Matrix
PRIMoRDiA: A Software to Explore Reactivity and Electronic Structure in Large Biomolecules
Can AI-Predicted Complexes Teach Machine Learning to Compute Drug Binding Affinity?
Dendritic and Star Polymers: Classification, Nomenclature, Structure Representation, and Registration in the DuPont SCION Database
Comparison of the Predictive Performance and Interpretability of Random Forest and Linear Models on Benchmark Data Sets
KiSSim: Predicting Off-Targets from Structural Similarities in the Kinome
HSC Chemistry for Windows, 2.0
Text Mining Metal-Organic Framework Papers
Historical Development of Abstracting
Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log P
Patterns of Ligands Coordinated to Metallocofactors Extracted from the Protein Data Bank
ParametrizANI: Fast and Accessible Dihedral Parametrization for Small Molecules
Structure-Based Prediction of Subtype Selectivity of Histamine H 3 Receptor Selective Antagonists in Clinical Trials
DeepPSA: A Geometric Deep Learning Model for PROTAC Synthetic Accessibility Prediction
PlayMolecule CrypticScout: Predicting Protein Cryptic Sites Using Mixed-Solvent Molecular Simulations
Book Review of Gnuplot in Action
Modeling the Enzymatic Mechanism of the SARS-CoV-2 RNA-Dependent RNA Polymerase by DFT/MM-MD: An Unusual Active Site Leading to High Replication Rates
IRPCA: An Interpretable Robust Principal Component Analysis Framework for Inferring miRNA-Drug Associations
GridSolvate: A Web Server for the Prediction of Biomolecular Hydration Properties
On Updating Torsion Angles of Molecular Conformations
Evaluating Molecular Similarity Measures: Do Similarity Measures Reflect Electronic Structure Properties?
Computer-assisted prediction of normal boiling points of furans, tetrahydrofurans, and thiophenes
Semiempirical Quantum Chemical Method and Artificial Neural Networks Applied for lambda m ax Computation of Some Azo Dyes
Chemistry42: An AI-Driven Platform for Molecular Design and Optimization
Computer-aided synthesis design at RISC-Linz: automatic extraction and use of reaction classes
ReaxFF Study of Ethanol Oxidation in O2/N2 and O2/CO2 Environments at High Temperatures
Comprehensive Classification and Diversity Assessment of Atomic Contacts in Protein-Small Ligand Interactions
Blood-Brain Barrier Permeation Models: Discriminating between Potential CNS and Non-CNS Drugs Including P-Glycoprotein Substrates
A Quantum-Inspired Method for Three-Dimensional Ligand-Based Virtual Screening
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics
Exploring the Fatty Acid Binding Pocket in the SARS-CoV-2 Spike Protein - Confirmed and Potential Ligands
MolMiner: You Only Look Once for Chemical Structure Recognition
Development of a Method To Consistently Quantify the Structural Distance between Scaffolds and To Assess Scaffold Hopping Potential
Exploration of Cryptic Pockets Using Enhanced Sampling Along Normal Modes: A Case Study of KRAS G12D
Computer-Generated Space-Filling Molecular Models
Improved Method for the Identification and Validation of Allosteric Sites
DeepPPI: Boosting Prediction of Protein-Protein Interactions with Deep Neural Networks
FragGrow: A Web Server for Structure-Based Drug Design by Fragment Growing within Constraints
Structure-Based Discovery of Mouse Trace Amine-Associated Receptor 5 Antagonists
Simple Size-Independent Measure of Ligand Efficiency
A Collection of Robust Organic Synthesis Reactions for In Silico Molecule Design
Maximum Symmetrical Split of Molecular Graphs. Application to Organic Synthesis Design
Effect of Selection of Molecular Descriptors on the Prediction of Blood-Brain Barrier Penetrating and Nonpenetrating Agents by Statistical Learning Methods
Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations
Dynamic Prediction of Drug-Target Interactions via Cross-Modal Feature Mapping with Learnable Association Information
The Discovery of Kv1.5 Blockers as a Case Study for the Application of Virtual Screening Approaches
Molecular substructure searching: computer graphics and query entry methodology
Development of Pharmacophore Alignment Models as Input for Comparative Molecular Field Analysis of a Diverse Set of Azole Antifungal Agents
Improved Chemical Structure-Activity Modeling Through Data Augmentation
Integrated Virtual Screening Approach Identifies New CYP19A1 Inhibitors
Tautobase: An Open Tautomer Database
Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based Pharmacophores
Characterization of Room-Temperature Ionic Liquids by the Abraham Model with Cation-Specific and Anion-Specific Equation Coefficients
Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets
Catalytic Mechanism of Human T-Cell Leukemia Virus Type 1 Protease Investigated by Combined QM/MM Molecular Dynamics Simulations
NanoShaperWeb: Molecular Surface and Pocket Detection Made Visual
Machine Learning-Driven Data Valuation for Optimizing High-Throughput Screening Pipelines
Applications of Machine Learning to In Silico Quantification of Chemicals without Analytical Standards
Binding Mechanism between Platelet Glycoprotein and Cyclic Peptide Elucidated by McMD-Based Dynamic Docking
Correlation of the Solubilities of Gases and Vapors in Methanol and Ethanol with Their Molecular Structures
Docking Ligands into Flexible and Solvated Macromolecules. 4. Are Popular Scoring Functions Accurate for this Class of Proteins?
A Multiscale Simulation Framework for Elucidating Photochemical Structure-Activity Relationships of Photoswitchable Ligands in Complex Biomolecular Environments
Mechanism of Cardiac Troponin C Calcium Sensitivity Modulation by Small Molecules Illuminated by Umbrella Sampling Simulations
A Fuzzy ARTMAP-Based Quantitative Structure-Property Relationship (QSPR) for the Henry's Law Constant of Organic Compounds
WarpEngine, a Flexible Platform for Distributed Computing Implemented in the VEGA Program and Specially Targeted for Virtual Screening Studies
Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition
Estimation of Hydrogen-Exchange Protection Factors from MD Simulation Based on Amide Hydrogen Bonding Analysis
ALCHEMY III, Three-Dimensional Molecular Modeling Software
Wavelength Selection for Multivariate Calibration Using a Genetic Algorithm: A Novel Initialization Strategy
QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials
(-) Arctigenin and (+) Pinoresinol Are Antagonists of the Human Thyroid Hormone Receptor β
Is Metal Stabilization of the Leaving Group Required or Can Lysine Facilitate Phosphodiester Bond Cleavage in Nucleic Acids? A Computational Study of EndoV
Formal Analysis of Effective Core Potential Methods
In Silico Prediction of Blood Brain Barrier Permeability: An Artificial Neural Network Model
Wiener-Number-Related Sequences
Allosteric Mechanisms Triggering Substrate and Cofactor Binding in the SULT1A1 Dimer as Revealed by Molecular Dynamics Simulations
High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators
NetInfer: A Web Server for Prediction of Targets and Therapeutic and Adverse Effects via Network-Based Inference Methods