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Stereo Signature Molecular Descriptor

https://doi.org/10.1021/ci300584r
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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/1521-3765(20010917)7:18<3985::aid-chem3985>3.0.co;2-0openalex-snapshot
Cahn-Ingold-Prelog Descriptors of Absolute Configuration for Carbon Cages
inferredcites →https://doi.org/10.1007/978-1-4684-2001-2_13openalex-snapshot
Isomorphism of Planar Graphs (Working Paper)
inferredcites →https://doi.org/10.1016/0021-9673(95)00401-7openalex-snapshot
Use of topological descriptiors in chromatographic chiral separations
inferredcites →https://doi.org/10.1016/j.bmcl.2012.10.102openalex-snapshot
QSAR investigation of NaV1.7 active compounds using the SVM/Signature approach and the Bioclipse Modeling platform
inferredcites →https://doi.org/10.1016/j.jmgm.2003.10.002openalex-snapshot
The signature molecular descriptor
inferredcites →https://doi.org/10.1021/ci020345wopenalex-snapshot
The Signature Molecular Descriptor. 1. Using Extended Valence Sequences in QSAR and QSPR Studies
inferredcites →https://doi.org/10.1021/ci025516bopenalex-snapshot
QSAR Modeling Using Chirality Descriptors Derived from Molecular Topology
inferredcites →https://doi.org/10.1021/ci0341823openalex-snapshot
The Signature Molecular Descriptor. 4. Canonizing Molecules Using Extended Valence Sequences
inferredcites →https://doi.org/10.1021/ci0499469openalex-snapshot
Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues
inferredcites →https://doi.org/10.1021/ci600235wopenalex-snapshot
Physicochemical Stereodescriptors of Atomic Chiral Centers
inferredcites →https://doi.org/10.1021/ci600238jopenalex-snapshot
Algorithm for Advanced Canonical Coding of Planar Chemical Structures That Considers Stereochemical and Symmetric Information
inferredcites →https://doi.org/10.1021/ci9002206openalex-snapshot
Interpretation of Nonlinear QSAR Models Applied to Ames Mutagenicity Data
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/10.1023/a:1008052320014openalex-snapshot
An extensive ecdysteroid CoMFA
inferredcites →https://doi.org/10.1093/bioinformatics/btm580openalex-snapshot
Genome scale enzyme–metabolite and drug–target interaction predictions using the signature molecular descriptor
inferredcites →https://doi.org/10.1093/bioinformatics/btq317openalex-snapshot
Molecular signatures-based prediction of enzyme promiscuity
inferredcites →https://doi.org/10.1093/nar/gkm882openalex-snapshot
KEGG for linking genomes to life and the environment
inferredcites →https://doi.org/10.1093/nar/gkq1126openalex-snapshot
DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs
inferredcites →https://doi.org/10.1145/1961189.1961199openalex-snapshot
LIBSVM
inferredcites →https://doi.org/10.1201/9781420082999-c11openalex-snapshot
Reaction Network Generation
inferredcites →https://doi.org/10.1360/jos180001openalex-snapshot
A Time Petri Net Extended with Price Information
inferredcites →https://doi.org/10.18637/jss.v011.i09openalex-snapshot
kernlab - An S4 Package for Kernel Methods in R
inferredcites →https://doi.org/10.18637/jss.v018.i02openalex-snapshot
The pls Package: Principal Component and Partial Least Squares Regression in R
inferredcites →https://doi.org/10.18637/jss.v018.i05openalex-snapshot
Chemical Informatics Functionality in R

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inferred← citeshttps://doi.org/10.1002/minf.202060030openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-94-007-6169-8_50-1openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s00253-019-10164-yopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10822-015-9854-3openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-0-32-390644-9.00084-6openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-0-444-63683-6.00011-3openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/bs.ant.2020.01.001openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.aichem.2023.100003openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.aichem.2024.100049openalex-snapshot
Machine learning advancements in organic synthesis: A focused exploration of artificial intelligence applications in chemistry
inferred← citeshttps://doi.org/10.1016/j.chemolab.2015.03.016openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jbiotec.2014.03.029openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jmgm.2016.07.008openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jmgm.2019.107479openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.rechem.2022.100379openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.ymben.2017.12.002openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.chemrev.9b00425openalex-snapshot
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inferred← citeshttps://doi.org/10.1038/nrd4128openalex-snapshot
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inferred← citeshttps://doi.org/10.1038/s41524-020-00429-wopenalex-snapshot
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inferred← citeshttps://doi.org/10.1039/c6cp06380bopenalex-snapshot
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inferred← citeshttps://doi.org/10.1039/d5dd00438aopenalex-snapshot
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inferred← citeshttps://doi.org/10.1039/d5ta04854kopenalex-snapshot
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inferred← citeshttps://doi.org/10.1093/bioinformatics/btv486openalex-snapshot
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inferred← citeshttps://doi.org/10.1093/nar/gku362openalex-snapshot
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inferred← citeshttps://doi.org/10.1093/nar/gkw305openalex-snapshot
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inferred← citeshttps://doi.org/10.1093/nar/gky940openalex-snapshot
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inferred← citeshttps://doi.org/10.1126/sciadv.aba6574openalex-snapshot
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inferred← citeshttps://doi.org/10.1186/s12859-015-0809-4openalex-snapshot
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inferred← citeshttps://doi.org/10.1186/s12859-018-2248-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1186/s13321-017-0203-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1186/s13321-025-01013-4openalex-snapshot
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inferred← citeshttps://doi.org/10.20517/jmi.2022.07openalex-snapshot
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inferred← citeshttps://doi.org/10.21203/rs.3.rs-2139666/v1openalex-snapshot
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inferred← citeshttps://doi.org/10.34133/research.0115openalex-snapshot
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