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Comparison of Knowledge-Based and Distance Geometry Approaches for Generation of Molecular Conformations
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Chemical Similarity Using Physiochemical Property Descriptors
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SQ: A Program for Rapidly Producing Pharmacophorically Relevent Molecular Superpositions
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inferred← citeshttps://doi.org/10.1002/jcc.20041openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/jcc.20506openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/minf.201000134openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-1-4614-5128-0_15openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-319-61446-5_18openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s11030-006-9037-1openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00091-2openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00246-7openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-0-12-374194-3.00029-9openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.02529-4openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bioorg.2018.05.025openalex-snapshot
Imidazo[2′,1′:2,3]thiazolo[4,5-d]pyridazinone as a new scaffold of DHFR inhibitors: Synthesis, biological evaluation and molecular modeling study
inferred← citeshttps://doi.org/10.1016/j.bmcl.2008.03.064openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bmcl.2015.07.021openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jmgm.2006.05.008openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/s1359-6446(05)03632-9openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci049780bopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci060016uopenalex-snapshot
Chemoinformatics: Past, Present, and Future†
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inferred← citeshttps://doi.org/10.1021/ci100223topenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jm900818sopenalex-snapshot
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inferred← citeshttps://doi.org/10.1039/b309040jopenalex-snapshot
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inferred← citeshttps://doi.org/10.1107/s090744490200358xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1111/j.1747-0285.2007.00538.xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1124/jpet.104.077651openalex-snapshot
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inferred← citeshttps://doi.org/10.1186/s13321-015-0095-1openalex-snapshot
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inferred← citeshttps://doi.org/10.4155/fmc.10.186openalex-snapshot
Institutional Profile: Crystal Structure Information in Drug Discovery and Development: Current Perspectives and New Possibilities from the Cambridge Crystallographic Data Centre
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Science and Advanced Computing — runs a structured editorial panel for researchers
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