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Using Molecular Fingerprint as Descriptors in the QSPR Study of Lipophilicity

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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/1520-6017(200102)90:2<234::aid-jps14>3.0.co;2-vopenalex-snapshot
Estimation of the aqueous solubility I: Application to organic nonelectrolytes
inferredcites →https://doi.org/10.1002/9780470125793.ch9openalex-snapshot
The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure‐Property Modeling
inferredcites →https://doi.org/10.1002/jps.2600760902openalex-snapshot
Hydrophobicity and Central Nervous System Agents: On the Principle of Minimal Hydrophobicity in Drug Design
inferredcites →https://doi.org/10.1002/qsar.19930120205openalex-snapshot
The Probability of Chance Correlation Using Partial Least Squares (PLS)
inferredcites →https://doi.org/10.1002/qsar.19960150506openalex-snapshot
Calculation Procedures for Molecular Lipophilicity: a Comparative Study
inferredcites →https://doi.org/10.1021/ac00220a013openalex-snapshot
Development and use of charged partial surface area structural descriptors in computer-assisted quantitative structure-property relationship studies
inferredcites →https://doi.org/10.1021/ci0504723openalex-snapshot
Multifingerprint Based Similarity Searches for Targeted Class Compound Selection
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/ja01077a029openalex-snapshot
A Correlation of Chemical Shifts with Inductive Effect Parameters
inferredcites →https://doi.org/10.1021/jm000942eopenalex-snapshot
Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties
inferredcites →https://doi.org/10.1021/jp980230oopenalex-snapshot
Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods
inferredcites →https://doi.org/10.1023/a:1008715521862openalex-snapshot
Estimating log P with atom/fragments and water solubility with log P
inferredcites →https://doi.org/10.1039/b409865jopenalex-snapshot
Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures
inferredcites →https://doi.org/10.32614/r.manualsopenalex-snapshot
R: A Language and Environment for Statistical Computing

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/9783527645121.ch7openalex-snapshot
Structural‐Similarity‐Based Approaches for the Development of Clustering and QSPR/QSAR Models in Chemical Databases
inferred← citeshttps://doi.org/10.1002/chin.200824195openalex-snapshot
ChemInform Abstract: Using Molecular Fingerprint as Descriptors in the QSPR Study of Lipophilicity.
inferred← citeshttps://doi.org/10.1007/978-1-62703-050-2_6openalex-snapshot
Prediction of Physicochemical Properties
inferred← citeshttps://doi.org/10.1007/978-3-319-50042-3_4openalex-snapshot
In Silico ADME Techniques Used in Early-Phase Drug Discovery
inferred← citeshttps://doi.org/10.1007/s10822-020-00292-3openalex-snapshot
A deep learning approach for the blind logP prediction in SAMPL6 challenge
inferred← citeshttps://doi.org/10.1007/s11705-026-2658-2openalex-snapshot
Future-oriented precision creation: recent advances in the intelligent design and synthesis of fine chemicals
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.chempr.2020.02.017openalex-snapshot
A Structure-Based Platform for Predicting Chemical Reactivity
inferred← citeshttps://doi.org/10.1016/j.compchemeng.2023.108291openalex-snapshot
Application of interpretable group-embedded graph neural networks for pure compound properties
inferred← citeshttps://doi.org/10.1016/j.ejmech.2016.05.049openalex-snapshot
Identification of noncovalent proteasome inhibitors with high selectivity for chymotrypsin-like activity by a multistep structure-based virtual screening
inferred← citeshttps://doi.org/10.1016/j.envres.2020.109697openalex-snapshot
A generalized predictive model for TiO2–Catalyzed photo-degradation rate constants of water contaminants through artificial neural network
inferred← citeshttps://doi.org/10.1016/j.trechm.2020.12.006openalex-snapshot
Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning
inferred← citeshttps://doi.org/10.1021/acs.chemrev.5b00215openalex-snapshot
A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes
inferred← citeshttps://doi.org/10.1021/acs.est.1c04326openalex-snapshot
“ py SiRC”: Machine Learning Combined with Molecular Fingerprints to Predict the Reaction Rate Constant of the Radical-Based Oxidation Processes of Aqueous Organic Contaminants
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c01091openalex-snapshot
Combining Group-Contribution Concept and Graph Neural Networks Toward Interpretable Molecular Property Models
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00597openalex-snapshot
Molecular Similarity-Based Domain Applicability Metric Efficiently Identifies Out-of-Domain Compounds
inferred← citeshttps://doi.org/10.1021/acsestwater.3c00435openalex-snapshot
Optimizing Photodegradation Rate Prediction of Organic Contaminants: Models with Fine-Tuned Hyperparameters and SHAP Feature Analysis for Informed Decision Making
inferred← citeshttps://doi.org/10.1021/acssuschemeng.5c06122openalex-snapshot
Unlocking Structural Insights into CO2 Absorption with Ionic Liquids: A Comparative Study of Machine Learning, Association Rules, and Meta-Learning for Modeling Henry’s Law Constant
inferred← citeshttps://doi.org/10.1021/ci100050topenalex-snapshot
Extended-Connectivity Fingerprints
inferred← citeshttps://doi.org/10.1021/ci100484zopenalex-snapshot
Analysis and Study of Molecule Data Sets Using Snowflake Diagrams of Weighted Maximum Common Subgraph Trees
inferred← citeshttps://doi.org/10.1021/ci200164gopenalex-snapshot
Accelerating Chemical Database Searching Using Graphics Processing Units
inferred← citeshttps://doi.org/10.1021/ci400114fopenalex-snapshot
Discovery and Design of Tricyclic Scaffolds as Protein Kinase CK2 (CK2) Inhibitors through a Combination of Shape-Based Virtual Screening and Structure-Based Molecular Modification
inferred← citeshttps://doi.org/10.1021/ci500016vopenalex-snapshot
Merging Applicability Domains for in Silico Assessment of Chemical Mutagenicity
inferred← citeshttps://doi.org/10.1021/ci800024copenalex-snapshot
Scores of Extended Connectivity Fingerprint as Descriptors in QSPR Study of Melting Point and Aqueous Solubility
inferred← citeshttps://doi.org/10.1021/ci900431fopenalex-snapshot
A Surface-Integral Model for LogPOW
inferred← citeshttps://doi.org/10.1038/s41598-024-62450-zopenalex-snapshot
A novel interpretable machine learning model approach for the prediction of TiO2 photocatalytic degradation of air contaminants
inferred← citeshttps://doi.org/10.1039/c9cs00786eopenalex-snapshot
Machine learning the ropes: principles, applications and directions in synthetic chemistry
inferred← citeshttps://doi.org/10.1039/d0cp01570aopenalex-snapshot
Solvent similarity index
inferred← citeshttps://doi.org/10.1080/1062936x.2013.773372openalex-snapshot
QSPR prediction of physico-chemical properties for REACH
inferred← citeshttps://doi.org/10.1080/17425247.2016.1211639openalex-snapshot
In vitro oral drug permeation models: the importance of taking physiological and physico-chemical factors into consideration
inferred← citeshttps://doi.org/10.1109/iscait69154.2026.11477193openalex-snapshot
Comparative Study on Aqueous Solubility Prediction of Organic Molecules Based on Multi-Feature Fusion and Machine Learning
inferred← citeshttps://doi.org/10.1177/1934578x1300800121openalex-snapshot
Summation Solute Hydrogen Bonding Acidity Values for Hydroxyl Substituted Flavones Determined by NMR Spectroscopy
inferred← citeshttps://doi.org/10.1186/s13321-025-01074-5openalex-snapshot
Reverse engineering molecules from fingerprints through deterministic enumeration and generative models
inferred← citeshttps://doi.org/10.1208/s12249-011-9622-1openalex-snapshot
Evaluation of the Membrane Permeability (PAMPA and Skin) of Benzimidazoles with Potential Cannabinoid Activity and their Relation with the Biopharmaceutics Classification System (BCS)
inferred← citeshttps://doi.org/10.2174/1573409911309020010openalex-snapshot
Structural Similarity and Descriptor Spaces for Clustering and Development of QSAR Models§
inferred← citeshttps://doi.org/10.26434/chemrxiv-2024-zr2vropenalex-snapshot
Molecular Fingerprints Optimization for Enhanced Predictive Modeling
inferred← citeshttps://doi.org/10.3389/fddsv.2024.1424402openalex-snapshot
The role of physicochemical and topological parameters in drug design
inferred← citeshttps://doi.org/10.3390/molecules27061985openalex-snapshot
In Silico Structure-Based Approach for Group Efficiency Estimation in Fragment-Based Drug Design Using Evaluation of Fragment Contributions
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