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On-the-Fly Selection of a Training Set for Aqueous Solubility Prediction
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/jps.10022openalex-snapshot
Prediction of the aqueous solubility: Comparison of the general solubility equation and the method using an amended solvation energy relationship
inferredcites →https://doi.org/10.1002/jps.2600770114openalex-snapshot
Water solubility: A critique of the solvatochromic 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/ci050087dopenalex-snapshot
Identifying Biologically Active Compound Classes Using Phenotypic Screening Data and Sampling Statistics
inferredcites →https://doi.org/10.1021/ci9501047openalex-snapshot
Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
inferredcites →https://doi.org/10.1021/ci980339topenalex-snapshot
Estimation of Molecular Linear Free Energy Relation Descriptors Using a Group Contribution Approach
inferredcites →https://doi.org/10.1021/ci990307lopenalex-snapshot
Prediction of Physicochemical Parameters by Atomic Contributions
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/10.1023/a:1006593614256openalex-snapshot
A Review and Empirical Evaluation of Feature Weighting Methods for a Class of Lazy Learning Algorithms
inferredcites →https://doi.org/10.1023/a:1026076312419openalex-snapshot
Relational Case-based Reasoning for Carcinogenic Activity Prediction
inferredcites →https://doi.org/10.1080/002071799220830openalex-snapshot
Lazy learning for local modelling and control design
inferredcites →https://doi.org/10.1146/annurev.pc.12.100161.000245openalex-snapshot
Physical Organic Chemistry
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527623860.ch14openalex-snapshot
Calculated Molecular Properties and Multivariate Statistical Analysis
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/10.1016/j.aca.2017.09.041openalex-snapshot
Chemometric-assisted method development in hydrophilic interaction liquid chromatography: A review
inferred← citeshttps://doi.org/10.1016/j.chroma.2017.05.044openalex-snapshot
Use of dual-filtering to create training sets leading to improved accuracy in quantitative structure-retention relationships modelling for hydrophilic interaction liquid chromatographic systems
inferred← citeshttps://doi.org/10.1016/j.drudis.2011.11.007openalex-snapshot
Bridging solubility between drug discovery and development
inferred← citeshttps://doi.org/10.1016/j.jmgm.2010.07.005openalex-snapshot
Calculation and application of activity discriminants in lead optimization
inferred← citeshttps://doi.org/10.1021/ci500084wopenalex-snapshot
Global Quantitative Structure–Activity Relationship Models vs Selected Local Models as Predictors of Off-Target Activities for Project Compounds
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/10.1039/9781847558879-00268openalex-snapshot
Compound Library Design – Principles and Applications
inferred← citeshttps://doi.org/10.1080/17460441.2020.1696307openalex-snapshot
The impact of chemoinformatics on drug discovery in the pharmaceutical industry
inferred← citeshttps://doi.org/10.1254/fpj.133.149openalex-snapshot
Pharmaceutical research in the early stages of drug discovery—significance and practice
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