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QSPR Using MOLGEN-QSPR: The Example of Haloalkane Boiling Points
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9783527613106openalex-snapshot
Handbook of Molecular Descriptors
inferredcites →https://doi.org/10.1007/978-1-4757-2440-0openalex-snapshot
The Nature of Statistical Learning Theory
inferredcites →https://doi.org/10.1016/0377-2217(85)90321-2openalex-snapshot
Classification and regression trees
inferredcites →https://doi.org/10.1016/s0040-4020(98)00550-xopenalex-snapshot
Quantitative structure-property relationship study of normal boiling points for halogen-/ oxygen-/ sulfur-containing organic compounds using the CODESSA program
inferredcites →https://doi.org/10.1016/s0045-6535(00)00276-9openalex-snapshot
Boiling points of halogenated organic compounds
inferredcites →https://doi.org/10.1016/s1093-3263(01)00101-2openalex-snapshot
Overall connectivity — a next generation molecular connectivity
inferredcites →https://doi.org/10.1021/ci00007a010openalex-snapshot
Correlations between chemical structure and normal boiling points of halogenated alkanes C1-C4
inferredcites →https://doi.org/10.1021/ci00007a011openalex-snapshot
Correlations between chemical structure and normal boiling points of acyclic ethers, peroxides, acetals, and their sulfur analogs
inferredcites →https://doi.org/10.1021/ci000104topenalex-snapshot
The Overall Wiener IndexA New Tool for Characterization of Molecular Topology
inferredcites →https://doi.org/10.1021/ci00014a017openalex-snapshot
Inverse problem in QSAR/QSPR studies for the case of topological indexes characterizing molecular shape (Kier indices)
inferredcites →https://doi.org/10.1021/ci025636jopenalex-snapshot
Toward Generating Simpler QSAR Models: Nonlinear Multivariate Regression versus Several Neural Network Ensembles and Some Related Methods
inferredcites →https://doi.org/10.1021/ci030404lopenalex-snapshot
MOLGEN-CID A Canonizer for Molecules and Graphs Accessible through the Internet
inferredcites →https://doi.org/10.1021/ci034183vopenalex-snapshot
Boiling Points of Halogenated Aliphatic Compounds: A Quantitative Structure−Property Relationship for Prediction and Validation
inferredcites →https://doi.org/10.1021/ci9500703openalex-snapshot
Simulated Annealing Construction of Molecular Graphs with Required Properties
inferredcites →https://doi.org/10.1021/ci970029vopenalex-snapshot
Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure−Property Relationship
inferredcites →https://doi.org/10.1021/ci970243jopenalex-snapshot
Correlation of Boiling Points with Molecular Structure for Chlorofluoroethanes
inferredcites →https://doi.org/10.1021/ci9900175openalex-snapshot
On Topological Indices, Boiling Points, and Cycloalkanes
inferredcites →https://doi.org/10.1021/ci990307lopenalex-snapshot
Prediction of Physicochemical Parameters by Atomic Contributions
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/bbb.1723openalex-snapshot
How to use QSPR ‐type approaches to predict properties in the context of Green Chemistry
inferred← citeshttps://doi.org/10.1002/chin.200507226openalex-snapshot
QSPR Using MOLGEN‐QSPR: The Example of Haloalkane Boiling Points.
inferred← citeshttps://doi.org/10.1002/minf.200900038openalex-snapshot
Exhaustive Structure Generation for Inverse‐QSPR/QSAR
inferred← citeshttps://doi.org/10.1002/poc.1879openalex-snapshot
Estimation of the ionization potential for polyhalogenated hydrocarbons by weakest bound potential method
inferred← citeshttps://doi.org/10.1002/qsar.200630160openalex-snapshot
Extensive Chemometric Investigations of the Multidrug Resistance in Strains of the Phytopathogenic Fungus Penicillium Digitatum
inferred← citeshttps://doi.org/10.1007/11839132_1openalex-snapshot
Graph Machines and Their Applications to Computer-Aided Drug Design: A New Approach to Learning from Structured Data
inferred← citeshttps://doi.org/10.1016/j.bmc.2006.04.005openalex-snapshot
2D QSAR of PPARγ agonist binding and transactivation
inferred← citeshttps://doi.org/10.1016/j.fluid.2013.11.043openalex-snapshot
Development of a new generalized correlation to characterize physical properties of pure components and petroleum fractions
inferred← citeshttps://doi.org/10.1016/j.tca.2015.01.006openalex-snapshot
Molecular based models for estimation of critical properties of pure refrigerants: Quantitative structure property relationship (QSPR) approach
inferred← citeshttps://doi.org/10.1021/ci0497298openalex-snapshot
QSPR Using MOLGEN-QSPR: The Challenge of Fluoroalkane Boiling Points
inferred← citeshttps://doi.org/10.1021/ci200409xopenalex-snapshot
Machine Learning Methods for Property Prediction in Chemoinformatics:Quo Vadis?
inferred← citeshttps://doi.org/10.1021/ci600470qopenalex-snapshot
Molecules in Silico: A Graph Description of Chemical Reactions
inferred← citeshttps://doi.org/10.1021/ci700157bopenalex-snapshot
y-Randomization and Its Variants in QSPR/QSAR
inferred← citeshttps://doi.org/10.1080/02678292.2016.1155769openalex-snapshot
Prediction of clearing temperatures of bent-core liquid crystals using decision trees and multivariate adaptive regression splines
inferred← citeshttps://doi.org/10.1080/02772240701862116openalex-snapshot
Normal boiling points of haloalkanes from electrotopological state indices
inferred← citeshttps://doi.org/10.1134/s0036024421040294openalex-snapshot
Using Recurrent Dependences to Control, Adjust, and Recover Values of the Physicochemical Properties of Organic Compounds
inferred← citeshttps://doi.org/10.2147/dddt.s126344openalex-snapshot
Quantum mechanics implementation in drug-design workflows: does it really help?
inferred← citeshttps://doi.org/10.2477/jccj.3.85openalex-snapshot
Molecules in Silico: The Generation of Structural Formulae and Its Applications
inferred← citeshttps://doi.org/10.4018/978-1-4666-8136-1.ch010openalex-snapshot
QSAR Models towards Cholinesterase Inhibitors for the Treatment of Alzheimer's Disease
inferred← citeshttps://doi.org/10.4018/978-1-5225-0549-5.ch022openalex-snapshot
QSAR Models towards Cholinesterase Inhibitors for the Treatment of Alzheimer's Disease
inferred← citeshttps://doi.org/10.4018/979-8-3693-5598-5.ch001openalex-snapshot
Advanced Strategies in Quantitative Structure Activity Relationship (QSAR) Modeling
inferred← citeshttps://doi.org/10.4236/ojmc.2012.24017openalex-snapshot
Computer-Aided Drug Design: An Innovative Tool for Modeling
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