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Physicochemical Stereodescriptors of Atomic Chiral Centers

https://doi.org/10.1021/ci600235w
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What this work says

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

inferredcites →https://doi.org/10.1002/9783527618279.ch39aopenalex-snapshot
Representation of Molecular Chirality
inferredcites →https://doi.org/10.1002/anie.196604192openalex-snapshot
Alkylation of Amine Oxides with Sultones
inferredcites →https://doi.org/10.1002/anie.198205671openalex-snapshot
Basic Principles of the CIP‐System and Proposals for a Revision
inferredcites →https://doi.org/10.1007/978-3-642-57292-0_10openalex-snapshot
Classification and Regression Trees
inferredcites →https://doi.org/10.1007/978-3-642-74140-1openalex-snapshot
Physical Property Prediction in Organic Chemistry
inferredcites →https://doi.org/10.1007/978-3-642-88163-3openalex-snapshot
Self-Organization and Associative Memory
inferredcites →https://doi.org/10.1016/0003-2670(92)85029-6openalex-snapshot
The generation of 3D models of host-guest complexes
inferredcites →https://doi.org/10.1016/0040-4020(80)80168-2openalex-snapshot
Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges
inferredcites →https://doi.org/10.1016/j.aca.2004.12.012openalex-snapshot
Prediction of enantioselectivity using chirality codes and Classification and Regression Trees
inferredcites →https://doi.org/10.1021/ci000082aopenalex-snapshot
Novel Chirality Descriptors Derived from Molecular Topology
inferredcites →https://doi.org/10.1021/ci00020a039openalex-snapshot
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
inferredcites →https://doi.org/10.1021/ci00027a011openalex-snapshot
Topological Organic Chemistry. 9. Graph Theory and Molecular Topological Indices of Stereoisomeric Organic Compounds
inferredcites →https://doi.org/10.1021/ci034160gopenalex-snapshot
Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling
inferredcites →https://doi.org/10.1021/cr00023a012openalex-snapshot
From atoms and bonds to three-dimensional atomic coordinates: automatic model builders
inferredcites →https://doi.org/10.1080/10629360412331319844openalex-snapshot
QSAR Modeling of Datasets with Enantioselective Compounds using Chirality Sensitive Molecular Descriptors

What points at this work

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

inferred← citeshttps://doi.org/10.1002/cem.2464openalex-snapshot
Methods of studies on quantitative structure–activity relationships for chiral compounds
inferred← citeshttps://doi.org/10.1002/chin.200706211openalex-snapshot
Physicochemical Stereodescriptors of Atomic Chiral Centers.
inferred← citeshttps://doi.org/10.1002/jssc.200800693openalex-snapshot
Exploring enantioselective molecular recognition mechanisms with chemoinformatic techniques
inferred← citeshttps://doi.org/10.1002/qsar.200810066openalex-snapshot
Encoding Absolute Configurations with Chiral Enantiophore Descriptors. Application to the Order of Elution of Enantiomers in Liquid Chromatography
inferred← citeshttps://doi.org/10.1007/978-3-031-67841-7_3openalex-snapshot
Chirality Descriptors for Numerical Characterization of Enantiomers and Diastereomers
inferred← citeshttps://doi.org/10.1007/978-981-19-2320-3_5openalex-snapshot
In Silico Search for Chiral Drug Compounds
inferred← citeshttps://doi.org/10.1007/s10822-011-9440-2openalex-snapshot
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
inferred← citeshttps://doi.org/10.1007/s10910-023-01531-2openalex-snapshot
Chirality descriptors for structure–activity relationship modeling of bioactive molecules
inferred← citeshttps://doi.org/10.1016/j.carres.2008.03.012openalex-snapshot
Artificial neural network aided estimation of the electrochemical signals of monosaccharides on gold electrode
inferred← citeshttps://doi.org/10.1016/j.chemolab.2013.08.007openalex-snapshot
Prediction of enantioselectivity of primary alcohols involved in racemic resolutions using chiral substituent code
inferred← citeshttps://doi.org/10.1016/j.chemolab.2015.03.016openalex-snapshot
Machine learning induction of chemically intuitive rules for the prediction of enantioselectivity in the asymmetric syntheses of alcohols
inferred← citeshttps://doi.org/10.1016/j.chemolab.2017.08.011openalex-snapshot
Highly selective atomic chiral index and its application to automatic assignment of chiral centers in chiral compounds
inferred← citeshttps://doi.org/10.1016/j.jmgm.2010.08.007openalex-snapshot
Complementing ultrafast shape recognition with an optical isomerism descriptor
inferred← citeshttps://doi.org/10.1016/j.jmgm.2013.03.005openalex-snapshot
The derivation of a chiral substituent code for secondary alcohols and its application to the prediction of enantioselectivity
inferred← citeshttps://doi.org/10.1016/j.molliq.2018.01.086openalex-snapshot
Exploration of automatic learning to establish relationships between the molecular structure of chiral ionic liquids and the specific optical rotation
inferred← citeshttps://doi.org/10.1016/j.saa.2019.117289openalex-snapshot
Machine learning to predict the specific optical rotations of chiral fluorinated molecules
inferred← citeshttps://doi.org/10.1016/j.xcrp.2025.103065openalex-snapshot
A unifying geometric framework for computational representation of stereoisomers based on mixed product
inferred← citeshttps://doi.org/10.1021/acs.chemrev.9b00425openalex-snapshot
Quantitative Structure–Selectivity Relationships in Enantioselective Catalysis: Past, Present, and Future
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00876openalex-snapshot
Machine Learning Classification of One-Chiral-Center Organic Molecules According to Optical Rotation
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00044openalex-snapshot
Extension of a Highly Discriminating Topological Index
inferred← citeshttps://doi.org/10.1021/ci300584ropenalex-snapshot
Stereo Signature Molecular Descriptor
inferred← citeshttps://doi.org/10.1039/d3sc05534eopenalex-snapshot
The pursuit of accurate predictive models of the bioactivity of small molecules
inferred← citeshttps://doi.org/10.1201/9781420065442.ch31openalex-snapshot
Predicting Chemical Reactivity and Bioactivity of Molecules from Structure
inferred← citeshttps://doi.org/10.48550/arxiv.1303.1724openalex-snapshot
Automated Identification and Classification of Stereochemistry: Chirality and Double Bond Stereoisomerism
inferred← citeshttps://doi.org/10.70675/46059c9azf5c2z4454za9a1z27d74b76aa76openalex-snapshot
Compréhension et prédiction de l'énantiosélectivité des lipases
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