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CHORTLES: A Method for Representing Oligomeric and Template-Based Mixtures
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What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/0471266949.bmc009openalex-snapshot
Chemical Information Computing Systems in Drug Discovery
inferred← citeshttps://doi.org/10.1002/9783527618279.ch3openalex-snapshot
Representation of Molecular Structures‐Overview
inferred← citeshttps://doi.org/10.1002/open.201600120openalex-snapshot
Chiral Brønsted Acid‐Catalyzed Enantioselective α‐Amidoalkylation Reactions: A Joint Experimental and Predictive Study
inferred← citeshttps://doi.org/10.1007/978-1-4939-2778-4_5openalex-snapshot
Data Management and Processing in Toxicoinformatics: From Chemical Databases to Automatic Extraction of Unstructured Resources
inferred← citeshttps://doi.org/10.1007/bf03380179openalex-snapshot
Computer representation and manipulation of combinatorial libraries
inferred← citeshttps://doi.org/10.1007/bf03380184openalex-snapshot
Commercial software systems for diversity analysis
inferred← citeshttps://doi.org/10.1007/bf03380186openalex-snapshot
Challenges and prospects for computational aids to molecular diversity
inferred← citeshttps://doi.org/10.1007/s12293-024-00414-6openalex-snapshot
Molecular representations in bio-cheminformatics
inferred← citeshttps://doi.org/10.1016/j.aichem.2024.100077openalex-snapshot
Molecular similarity: Theory, applications, and perspectives
inferred← citeshttps://doi.org/10.1016/s0065-2490(97)80006-8openalex-snapshot
Combinatorial compound libraries for enhanced drug discovery approaches
inferred← citeshttps://doi.org/10.1016/s1093-3263(00)00070-xopenalex-snapshot
Development and screening of a polyketide virtual library for drug leads against a motilide pharmacophore
inferred← citeshttps://doi.org/10.1016/s1367-5931(98)80012-4openalex-snapshot
Computational methods in molecular diversity and combinatorial chemistry
inferred← citeshttps://doi.org/10.1021/acs.jcim.4c02102openalex-snapshot
Molecular Dynamics (MD)-Derived Features for Canonical and Noncanonical Amino Acids
inferred← citeshttps://doi.org/10.1021/acs.jcim.5c01613openalex-snapshot
CSMILES: A Compact, Human-Readable SMILES Extension for Conformations
inferred← citeshttps://doi.org/10.1021/acs.jcim.6c00408openalex-snapshot
HELMify: A Hybrid Rule- and LLM-Based Generator of Peptide Monomer HELM Names
inferred← citeshttps://doi.org/10.1021/acs.jcim.6c00587openalex-snapshot
Advancing Biochemical Molecule Registration, Representation and Search for New Drug Modalities
inferred← citeshttps://doi.org/10.1021/acs.langmuir.5b03074openalex-snapshot
Self-Assembled Binary Nanoscale Systems: Multioutput Model with LFER-Covariance Perturbation Theory and an Experimental–Computational Study of NaGDC-DDAB Micelles
inferred← citeshttps://doi.org/10.1021/cc0340325openalex-snapshot
On the Representation of Combinatorial Libraries
inferred← citeshttps://doi.org/10.1021/ci3001925openalex-snapshot
HELM: A Hierarchical Notation Language for Complex Biomolecule Structure Representation
inferred← citeshttps://doi.org/10.1021/ci950169+openalex-snapshot
Stigmata: An Algorithm To Determine Structural Commonalities in Diverse Datasets
inferred← citeshttps://doi.org/10.1021/ci960091copenalex-snapshot
Techniques for Generating Descriptive Fingerprints in Combinatorial Libraries
inferred← citeshttps://doi.org/10.1039/c6ra08751eopenalex-snapshot
Perturbation theory model of reactivity and enantioselectivity of palladium-catalyzed Heck–Heck cascade reactions
inferred← citeshttps://doi.org/10.1186/1758-2946-3-1openalex-snapshot
CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures
inferred← citeshttps://doi.org/10.1186/1758-2946-4-40openalex-snapshot
Automated compound classification using a chemical ontology
inferred← citeshttps://doi.org/10.1186/s13321-016-0160-4openalex-snapshot
Jmol SMILES and Jmol SMARTS: specifications and applications
inferred← citeshttps://doi.org/10.1186/s13321-018-0294-7openalex-snapshot
SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation
inferred← citeshttps://doi.org/10.1186/s13321-020-00460-5openalex-snapshot
Molecular representations in AI-driven drug discovery: a review and practical guide
inferred← citeshttps://doi.org/10.1186/s41120-023-00073-wopenalex-snapshot
Development of human-machine language interfaces for the visual analysis of complex biologics and RNA modalities and associated experimental data
inferred← citeshttps://doi.org/10.26434/chemrxiv-2023-cs3wbopenalex-snapshot
Molecular Similarity: Theory, Applications, and Perspectives
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