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Novel Chirality Descriptors Derived from Molecular Topology

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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/j.1538-7305.1948.tb00917.xopenalex-snapshot
A Mathematical Theory of Communication
inferredcites →https://doi.org/10.1002/jcc.540020202openalex-snapshot
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inferredcites →https://doi.org/10.1002/qsar.19850040304openalex-snapshot
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inferredcites →https://doi.org/10.1002/qsar.19870060104openalex-snapshot
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inferredcites →https://doi.org/10.1007/0-306-46858-1_6openalex-snapshot
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inferredcites →https://doi.org/10.1007/bf00134175openalex-snapshot
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inferredcites →https://doi.org/10.1016/0160-9327(86)90116-xopenalex-snapshot
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inferredcites →https://doi.org/10.1016/0165-6147(88)90012-0openalex-snapshot
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inferredcites →https://doi.org/10.1016/b978-0-12-406560-4.x5001-6openalex-snapshot
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inferredcites →https://doi.org/10.1016/s1367-5931(98)80012-4openalex-snapshot
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inferredcites →https://doi.org/10.1021/ci00001a013openalex-snapshot
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inferredcites →https://doi.org/10.1021/ci00008a012openalex-snapshot
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inferredcites →https://doi.org/10.1021/ci00027a011openalex-snapshot
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inferredcites →https://doi.org/10.1021/ci00046a002openalex-snapshot
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inferredcites →https://doi.org/10.1021/ci00046a003openalex-snapshot
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inferredcites →https://doi.org/10.1021/ci980033mopenalex-snapshot
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inferredcites →https://doi.org/10.1021/j150495a009openalex-snapshot
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inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
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inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
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inferredcites →https://doi.org/10.1021/ja00856a002openalex-snapshot
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inferredcites →https://doi.org/10.1021/ja01193a005openalex-snapshot
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inferredcites →https://doi.org/10.1021/jm950447wopenalex-snapshot
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inferredcites →https://doi.org/10.1023/a:1008052320014openalex-snapshot
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inferredcites →https://doi.org/10.1063/1.430994openalex-snapshot
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What points at this work

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inferred← citeshttps://doi.org/10.1002/0471266949.bmc002.pub2openalex-snapshot
Recent Advances in Development, Validation, and Exploitation of QSAR Models
inferred← citeshttps://doi.org/10.1002/0471266949.bmc002.pub3openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/0471266949.bmc006.pub2openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/9781118742785.ch5openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/9783527618279.ch39aopenalex-snapshot
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inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/adsc.200505220openalex-snapshot
Topological Mapping of Bidentate Ligands: A Fast Approach for Screening Homogeneous Catalysts
inferred← citeshttps://doi.org/10.1002/cbdv.200490010openalex-snapshot
A Structure‐Information Approach to the Prediction of Biological Activities and Properties
inferred← citeshttps://doi.org/10.1002/cbdv.202501624openalex-snapshot
Chemical Composition and QSRR Analysis of Essential Oil of Algerian Scabiosa Daucoïdes Desf
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.200120224openalex-snapshot
ChemInform Abstract: Novel Chirality Descriptors Derived from Molecular Topology.
inferred← citeshttps://doi.org/10.1002/chin.200444298openalex-snapshot
Whole Molecule and Atom‐Based Topological Descriptors
inferred← citeshttps://doi.org/10.1002/chir.10069openalex-snapshot
Stereochemical terminology and its discontents
inferred← citeshttps://doi.org/10.1002/chir.20114openalex-snapshot
Data mining and enantiophore studies on chiral stationary phases used in HPLC separation
inferred← citeshttps://doi.org/10.1002/cmdc.201700798openalex-snapshot
Chiral Cliffs: Investigating the Influence of Chirality on Binding Affinity
inferred← citeshttps://doi.org/10.1002/ejoc.200300743openalex-snapshot
Diastereoisomeric Molecular Knots by Combination of Central and Topological Chiralities
inferred← citeshttps://doi.org/10.1002/jcc.20964openalex-snapshot
Bond‐based 3D‐chiral linear indices: Theory and QSAR applications to central chirality codification
inferred← citeshttps://doi.org/10.1002/jssc.200800693openalex-snapshot
Exploring enantioselective molecular recognition mechanisms with chemoinformatic techniques
inferred← citeshttps://doi.org/10.1002/minf.201000061openalex-snapshot
Best Practices for QSAR Model Development, Validation, and Exploitation
inferred← citeshttps://doi.org/10.1002/minf.202060030openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/prot.20159openalex-snapshot
Markovian Backbone Negentropies: Molecular descriptors for protein research. I. Predicting protein stability in Arc repressor mutants
inferred← citeshttps://doi.org/10.1002/qsar.200530001openalex-snapshot
Chirality Factors and Their Application to QSAR Studies of Chiral Molecules
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/10.1002/qsar.200960085openalex-snapshot
Applications of Bond‐Based 3D‐Chiral Quadratic Indices in QSAR Studies Related to Central Chirality Codification
inferred← citeshttps://doi.org/10.1002/qua.27112openalex-snapshot
A study of two‐dimensional coronene fractal structures with M‐polynomials
inferred← citeshttps://doi.org/10.1007/978-0-387-30440-3_422openalex-snapshot
QSAR Modeling and QSAR Based Virtual Screening, Complexity and Challenges of Modern
inferred← citeshttps://doi.org/10.1007/978-1-60761-931-4_6openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-031-67841-7_3openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-319-27282-5_37openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-319-56850-8_2openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-319-56850-8_4openalex-snapshot
Structural, Physicochemical and Stereochemical Interpretation of QSAR Models Based on Simplex Representation of Molecular Structure
inferred← citeshttps://doi.org/10.1007/978-94-007-0711-5_37openalex-snapshot
Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment
inferred← citeshttps://doi.org/10.1007/978-94-007-6169-8_37-2openalex-snapshot
Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment
inferred← citeshttps://doi.org/10.1007/978-94-007-6169-8_37-3openalex-snapshot
Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment
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/s00894-004-0228-3openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10822-005-7575-8openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10822-012-9591-9openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10822-023-00509-1openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10910-008-9386-3openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10910-015-0533-3openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10910-021-01321-8openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10910-023-01477-5openalex-snapshot
Covalent organic frameworks: topological characterizations, spectral patterns and graph entropies
inferred← citeshttps://doi.org/10.1007/s10910-023-01531-2openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s11009-021-09895-1openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b0-44-451924-6/00036-3openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bmc.2004.07.051openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bmc.2004.09.034openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bmc.2004.12.028openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bmc.2005.02.015openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bmc.2005.11.024openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bmc.2006.10.032openalex-snapshot
QSAR study of anticoccidial activity for diverse chemical compounds: Prediction and experimental assay of trans-2-(2-nitrovinyl)furan
inferred← citeshttps://doi.org/10.1016/j.bmc.2008.11.007openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bulm.2003.12.003openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.chemolab.2005.05.008openalex-snapshot
Extended topological indices and prediction of activities of chiral compounds
inferred← citeshttps://doi.org/10.1016/j.chemolab.2010.04.007openalex-snapshot
Three-dimensional vector of pharmacophore atomic interaction and its applications to stereoisomeric description
inferred← citeshttps://doi.org/10.1016/j.chemolab.2011.05.015openalex-snapshot
Virtual screening of a combinatorial library of enantioselective catalysts with chirality codes and counterpropagation neural networks
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.chroma.2008.01.034openalex-snapshot
Simple method for the prediction of the separation of racemates with high-performance liquid chromatography on Whelk-O1 chiral stationary phase
inferred← citeshttps://doi.org/10.1016/j.chroma.2009.07.002openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2019.107190openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cplett.2008.05.009openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.drudis.2006.09.003openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jmgm.2006.09.007openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jmgm.2010.08.007openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jmgm.2013.03.005openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.saa.2019.117289openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.trac.2018.05.019openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/s0097-8485(02)00053-0openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/s1093-3263(01)00101-2openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/s1093-3263(01)00123-1openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/s1093-3263(01)00136-xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1017/cbo9780511730412.012openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.chemrev.9b00425openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00876openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00809openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci000115mopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci0103469openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci025516bopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci030410hopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci034203topenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci050085topenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci300057hopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci600235wopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci600542bopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci700181vopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jm010488uopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/tx0256432openalex-snapshot
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inferred← citeshttps://doi.org/10.1023/a:1020869118689openalex-snapshot
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inferred← citeshttps://doi.org/10.1023/a:1021372108686openalex-snapshot
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inferred← citeshttps://doi.org/10.1023/b:modi.0000047504.14261.2aopenalex-snapshot
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inferred← citeshttps://doi.org/10.1039/9781847558879-00295openalex-snapshot
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inferred← citeshttps://doi.org/10.1039/d3sc05534eopenalex-snapshot
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inferred← citeshttps://doi.org/10.1063/5.0269493openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/00268976.2022.2079568openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/00268976.2023.2212533openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/03639040500306336openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/10629360108035379openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/10629360412331319844openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/1062936x.2017.1344729openalex-snapshot
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inferred← citeshttps://doi.org/10.1088/1402-4896/ad10dbopenalex-snapshot
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inferred← citeshttps://doi.org/10.1088/1402-4896/ad9a1fopenalex-snapshot
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inferred← citeshttps://doi.org/10.1155/2020/8819008openalex-snapshot
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inferred← citeshttps://doi.org/10.1201/9780203642627.ch5openalex-snapshot
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inferred← citeshttps://doi.org/10.1201/9781420065442.ch31openalex-snapshot
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inferred← citeshttps://doi.org/10.1201/b18389-3openalex-snapshot
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inferred← citeshttps://doi.org/10.1515/zna-2017-0135openalex-snapshot
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inferred← citeshttps://doi.org/10.18524/2304-0947.2016.1(57).67508openalex-snapshot
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inferred← citeshttps://doi.org/10.18524/2304-0947.2016.1(57).67514openalex-snapshot
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inferred← citeshttps://doi.org/10.2174/138161206779010431openalex-snapshot
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inferred← citeshttps://doi.org/10.2174/1568026623666230731103309openalex-snapshot
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inferred← citeshttps://doi.org/10.2174/157340909787580836openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/70800566openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/app12178702openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/axioms15040291openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/ecsoc-9-01664openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/molecules17089971openalex-snapshot
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inferred← citeshttps://doi.org/10.36468/pharmaceutical-sciences.1010openalex-snapshot
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inferred← citeshttps://doi.org/10.3797/scipharm.0804-12openalex-snapshot
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inferred← citeshttps://doi.org/10.3923/ajdd.2011.85.104openalex-snapshot
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inferred← citeshttps://doi.org/10.4067/s0717-97072012000100001openalex-snapshot
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inferred← citeshttps://doi.org/10.48550/arxiv.1303.1724openalex-snapshot
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inferred← citeshttps://doi.org/10.48550/arxiv.2110.04383openalex-snapshot
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inferred← citeshttps://doi.org/10.5012/bkcs.2011.32.7.2397openalex-snapshot
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inferred← citeshttps://doi.org/10.53879/id.60.02.13405openalex-snapshot
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