On the public citation graph

Estimating the Water Solubilities of Crystalline Compounds from Their Chemical Structures Alone

0 signed · 86 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.
Claim with ORCID
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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

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

inferredcites →https://doi.org/10.1002/(sici)1099-1395(199705)10:5<405::aid-poc922>3.0.co;2-aopenalex-snapshot
QUANTIFICATION OF NON-COVALENT INTERACTIONS ON THE BASIS OF THE THERMODYNAMIC HYDROGEN BOND PARAMETERS
inferredcites →https://doi.org/10.1002/jps.2600690814openalex-snapshot
Solubility and partitioning I: Solubility of nonelectrolytes in water
inferredcites →https://doi.org/10.1002/qsar.19920110109openalex-snapshot
Complete Thermodynamic Description of H‐Bonding in the Framework of Multiplicative Approach
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1021/ci00009a013openalex-snapshot
Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation
inferredcites →https://doi.org/10.1021/ci960020dopenalex-snapshot
Modeling Purines and Pyrimidines with the Linear Combination of Connectivity Indices−Molecular Connectivity “LCCI-MC” Method
inferredcites →https://doi.org/10.1021/ci970100xopenalex-snapshot
Aqueous Solubility Prediction of Drugs Based on Molecular Topology and Neural Network Modeling
inferredcites →https://doi.org/10.1023/a:1007526826979openalex-snapshot
pH-Metric Solubility. 2: Correlation Between the Acid-Base Titration and the Saturation Shake-Flask Solubility-pH Methods

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9781118286067.ch6openalex-snapshot
Solubility
inferred← citeshttps://doi.org/10.1002/9783527621286.ch2openalex-snapshot
Physicochemical Properties in Drug Profiling
inferred← citeshttps://doi.org/10.1002/9783527623860.ch5openalex-snapshot
Physicochemical Approaches to Drug Absorption
inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/9783527645763.ch1openalex-snapshot
Physicochemistry
inferred← citeshttps://doi.org/10.1002/bdd.2170openalex-snapshot
Application of data mining approach to identify drug subclasses based on solubility and permeability
inferred← citeshttps://doi.org/10.1002/cbdv.200490137openalex-snapshot
No Title
inferred← citeshttps://doi.org/10.1002/cbdv.200790208openalex-snapshot
Solubility Correlations. Part 1
inferred← citeshttps://doi.org/10.1002/cem.3349openalex-snapshot
Machine learning in prediction of intrinsic aqueous solubility of drug‐like compounds: Generalization, complexity, or predictive ability?
inferred← citeshttps://doi.org/10.1002/chin.200148237openalex-snapshot
ChemInform Abstract: Estimating the Water Solubilities of Crystalline Compounds from Their Chemical Structures Alone.
inferred← citeshttps://doi.org/10.1002/jps.21235openalex-snapshot
Design and Characterization of a New Miniaturized Rotating Disk Equipment for In Vitro Dissolution Rate Studies
inferred← citeshttps://doi.org/10.1002/jps.24112openalex-snapshot
Evaluation of a Three Compartment In Vitro Gastrointestinal Simulator Dissolution Apparatus to Predict In Vivo Dissolution
inferred← citeshttps://doi.org/10.1002/minf.201400144openalex-snapshot
In silico Prediction of Aqueous Solubility: a Comparative Study of Local and Global Predictive Models
inferred← citeshttps://doi.org/10.1002/qsar.200330840openalex-snapshot
Analysis of water solubility data on the basis of HYBOT descriptors
inferred← citeshttps://doi.org/10.1002/qsar.200330843openalex-snapshot
Analysis of water solubility data on the basis of HYBOT descriptors.
inferred← citeshttps://doi.org/10.1002/qsar.200430862openalex-snapshot
Analysis of Water Solubility Data on the Basis of HYBOT Descriptors. Part 3. Solubility of Solid Neutral Chemicals and Drugs
inferred← citeshttps://doi.org/10.1002/qsar.200610099openalex-snapshot
In Silico Classification of Solubility using Binary k‐Nearest Neighbor and Physicochemical Descriptors
inferred← citeshttps://doi.org/10.1007/978-0-387-44961-6_9openalex-snapshot
Computational Models Supporting Lead Optimization in Drug Discovery
inferred← citeshttps://doi.org/10.1007/s11095-024-03662-wopenalex-snapshot
Green Tea Catechins Decrease Solubility of Raloxifene In Vitro and Its Systemic Exposure in Mice
inferred← citeshttps://doi.org/10.1007/s11356-016-7194-zopenalex-snapshot
Effects of soil moisture depletion on vegetable crop uptake of pharmaceuticals and personal care products (PPCPs)
inferred← citeshttps://doi.org/10.1007/s12272-022-01394-2openalex-snapshot
Physiologically based pharmacokinetic modelling to predict the pharmacokinetics of metoprolol in different CYP2D6 genotypes
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00279-0openalex-snapshot
In Silico Predictions of Solubility
inferred← citeshttps://doi.org/10.1016/j.addr.2007.05.005openalex-snapshot
Computational approaches to determine drug solubility
inferred← citeshttps://doi.org/10.1016/j.cej.2018.11.230openalex-snapshot
The multi-mechanisms and interlayer configurations of metoprolol uptake on montmorillonite
inferred← citeshttps://doi.org/10.1016/j.drudis.2019.04.002openalex-snapshot
Ocular biopharmaceutics: impact of modeling and simulation on topical ophthalmic formulation development
inferred← citeshttps://doi.org/10.1016/j.ejps.2004.04.006openalex-snapshot
Accuracy of calculated pH-dependent aqueous drug solubility
inferred← citeshttps://doi.org/10.1016/j.ejps.2014.02.004openalex-snapshot
Pharmacokinetic simulations to explore dissolution criteria of BCS I and III biowaivers with and without MDR-1 efflux transporter
inferred← citeshttps://doi.org/10.1016/j.envpol.2006.05.037openalex-snapshot
A practical demonstration in modelling diclofenac and propranolol river water concentrations using a GIS hydrology model in a rural UK catchment
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2018.12.038openalex-snapshot
Ion-pair approach coupled with nanoparticle formation to increase bioavailability of a low permeability charged drug
inferred← citeshttps://doi.org/10.1016/j.jconrel.2015.09.024openalex-snapshot
Validation of the IntelliCap® system as a tool to evaluate extended release profiles in human GI tract using metoprolol as model drug
inferred← citeshttps://doi.org/10.1016/j.jddst.2020.101625openalex-snapshot
Modulating sustained drug release from nanocellulose hydrogel by adjusting the inner geometry of implantable capsules
inferred← citeshttps://doi.org/10.1016/j.marpolbul.2013.03.039openalex-snapshot
Emerging contaminants in Belgian marine waters: Single toxicant and mixture risks of pharmaceuticals
inferred← citeshttps://doi.org/10.1016/j.tca.2016.07.020openalex-snapshot
The solubility of ethionamide and structural analogues in buffer solutions, octanol and hexane at several temperatures
inferred← citeshttps://doi.org/10.1016/j.theochem.2006.06.042openalex-snapshot
Density functional theory calculations of hydrogen bonding energies of drug molecules
inferred← citeshttps://doi.org/10.1016/j.xphs.2016.10.022openalex-snapshot
Isolation, Solubility, and Characterization of D-Mannitol Esters of 4-Methoxybenzeneboronic Acid
inferred← citeshttps://doi.org/10.1016/j.xphs.2023.09.015openalex-snapshot
Investigating the Correlation Between Drug Physical Properties and Physical Characteristics and Drug Entrapment Efficiencies of Chitosan-TPP Nanoparticles
inferred← citeshttps://doi.org/10.1016/s0079-6468(02)41001-6openalex-snapshot
Predicting Oral Absorption and Bioavailability
inferred← citeshttps://doi.org/10.1021/acs.jced.5b00352openalex-snapshot
Solubility and Distribution of Salinazid and Vanillin Isoniazid in the Solvents Modeling Biological Media
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00701openalex-snapshot
Findings of the Second Challenge to Predict Aqueous Solubility
inferred← citeshttps://doi.org/10.1021/acs.jcim.6c01182openalex-snapshot
Data-Driven Critical Evaluation of the General Solubility Equation
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00345openalex-snapshot
Solubility Challenge Revisited after Ten Years, with Multilab Shake-Flask Data, Using Tight (SD ∼ 0.17 log) and Loose (SD ∼ 0.62 log) Test Sets
inferred← citeshttps://doi.org/10.1021/acs.oprd.0c00404openalex-snapshot
Simple Method (CHEM-SP) to Predict Solubility from 2-D Chemical Structures
inferred← citeshttps://doi.org/10.1021/cg1001946openalex-snapshot
Sublimation of Molecular Crystals: Prediction of Sublimation Functions on the Basis of HYBOT Physicochemical Descriptors and Structural Clusterization
inferred← citeshttps://doi.org/10.1021/ci010097oopenalex-snapshot
SLIPPER-2001 − Software for Predicting Molecular Properties on the Basis of Physicochemical Descriptors and Structural Similarity
inferred← citeshttps://doi.org/10.1021/ci034184nopenalex-snapshot
ADME Evaluation in Drug Discovery. 4. Prediction of Aqueous Solubility Based on Atom Contribution Approach
inferred← citeshttps://doi.org/10.1021/ci600292qopenalex-snapshot
Prediction of pH-Dependent Aqueous Solubility of Druglike Molecules
inferred← citeshttps://doi.org/10.1021/es070152vopenalex-snapshot
Adsorption of Beta Blockers to Environmental Surfaces
inferred← citeshttps://doi.org/10.1021/je500363ropenalex-snapshot
Solubility and Solution Thermodynamics of Novel Bicyclic Derivatives of 1,3-Selenazine in Biological Relevant Solvents
inferred← citeshttps://doi.org/10.1021/jm020986iopenalex-snapshot
Absorption Classification of Oral Drugs Based on Molecular Surface Properties
inferred← citeshttps://doi.org/10.1021/jp064220wopenalex-snapshot
In Silico Prediction of Drug Solubility: 1. Free Energy of Hydration
inferred← citeshttps://doi.org/10.1021/mp300234qopenalex-snapshot
In Silico Prediction of Aqueous Solubility: A Multimodel Protocol Based on Chemical Similarity
inferred← citeshttps://doi.org/10.1023/a:1014224900524openalex-snapshot
Experimental and Computational Screening Models for Prediction of Aqueous Drug Solubility
inferred← citeshttps://doi.org/10.1023/b:modi.0000006538.99122.00openalex-snapshot
Validation subset selections for extrapolation oriented QSPAR models
inferred← citeshttps://doi.org/10.1023/b:modi.0000006562.93049.36openalex-snapshot
In silico prediction of aqueous solubility, human plasma protein binding and volume of distribution of compounds from calculated pKa and AlogP98 values
inferred← citeshttps://doi.org/10.1023/b:modi.0000047512.82293.75openalex-snapshot
New predictors for several ADME/Tox properties: Aqueous solubility, human oral absorption, and Ames genotoxicity using topological descriptors
inferred← citeshttps://doi.org/10.1039/c5em00338eopenalex-snapshot
The degradation behaviour of nine diverse contaminants in urban surface water and wastewater prior to water treatment
inferred← citeshttps://doi.org/10.1063/1.1579474openalex-snapshot
Predicting aqueous solubilities from aqueous free energies of solvation and experimental or calculated vapor pressures of pure substances
inferred← citeshttps://doi.org/10.1080/03639045.2019.1665062openalex-snapshot
A review of methods for solubility determination in biopharmaceutical drug characterization
inferred← citeshttps://doi.org/10.1080/10629360412331319835openalex-snapshot
In silicomodelling of ADMET—a minireview of work from 2000 to 2004
inferred← citeshttps://doi.org/10.1080/10629360412331319862openalex-snapshot
QSPR analysis of the partitioning of vaporous chemicals in a water–gas phase system and the water solubility of liquid and solid chemicals on the basis of fragment and physicochemical similarity and HYBOT descriptors
inferred← citeshttps://doi.org/10.1080/10629360802083855openalex-snapshot
Prediction of drug solubility from molecular structure using a drug-like training set
inferred← citeshttps://doi.org/10.1093/bioinformatics/bti314openalex-snapshot
Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates
inferred← citeshttps://doi.org/10.1111/j.1742-7843.2005.pto960303.xopenalex-snapshot
In silico Predictions of Drug Solubility and Permeability: Two Rate‐limiting Barriers to Oral Drug Absorption
inferred← citeshttps://doi.org/10.1111/jcpt.13764openalex-snapshot
Clinical pharmacokinetics of nadolol: A systematic review
inferred← citeshttps://doi.org/10.1517/17425255.1.4.613openalex-snapshot
Computational models to predict aqueous drug solubility, permeability and intestinal absorption
inferred← citeshttps://doi.org/10.1517/17425255.2.3.471openalex-snapshot
4SCan/vADME: intelligent library screening as a shortcut from hits to lead compounds
inferred← citeshttps://doi.org/10.1517/17425255.4.6.759openalex-snapshot
Structure – ADME relationship: still a long way to go?
inferred← citeshttps://doi.org/10.1517/17460441.1.1.31openalex-snapshot
In silicoprediction of aqueous solubility
inferred← citeshttps://doi.org/10.2147/dddt.s297981openalex-snapshot
Development and Evaluation of a Physiologically Based Pharmacokinetic Drug-Disease Model of Propranolol for Suggesting Model Informed Dosing in Liver Cirrhosis Patients
inferred← citeshttps://doi.org/10.2165/00003088-200443150-00004openalex-snapshot
Biowaivers for Oral Immediate-Release Products
inferred← citeshttps://doi.org/10.2174/0115734129314568241009053724openalex-snapshot
Determination of pH-Solubility Profile and Development of Prediction Models for pH-Dependent Solubility of Atorvastatin Calcium
inferred← citeshttps://doi.org/10.2174/1389200221666200414094644openalex-snapshot
Clinical Pharmacokinetics of Propranolol Hydrochloride: A Review
inferred← citeshttps://doi.org/10.2174/1573412915666190328212231openalex-snapshot
Trace Extraction of Metoprolol from Plasma, Urine and EBC Samples Using Modified Magnetic Nanoparticles Followed by Spectrofluorimetric Determination for Drug Monitoring Purposes
inferred← citeshttps://doi.org/10.3390/ijms10062558openalex-snapshot
QSPR Studies on Aqueous Solubilities of Drug-Like Compounds
inferred← citeshttps://doi.org/10.3390/ma12182858openalex-snapshot
The Triple Mechanisms of Atenolol Adsorption on Ca-Montmorillonite: Implication in Pharmaceutical Wastewater Treatment
inferred← citeshttps://doi.org/10.3390/pharmaceutics17091222openalex-snapshot
Integrating In Vitro BE Checker with In Silico Physiologically Based Biopharmaceutics Modeling to Predict the Pharmacokinetic Profiles of Oral Drug Products
inferred← citeshttps://doi.org/10.3390/su122310197openalex-snapshot
Adding the Mureş River Basin (Transylvania, Romania) to the List of Hotspots with High Contamination with Pharmaceuticals
inferred← citeshttps://doi.org/10.5599/admet.766openalex-snapshot
Prediction of aqueous intrinsic solubility of druglike molecules using Random Forest regression trained with Wiki-pS0 database
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.