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NovoFLAP: A Ligand-Based De Novo Design Approach for the Generation of Medicinally Relevant Ideas
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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/chin.200642205openalex-snapshot
Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large‐Scale Survey on the Retrieval of Protein‐Bound Ligand Conformations.
inferredcites →https://doi.org/10.1002/qsar.200410012openalex-snapshot
Identification of novel cannabinoid receptor ligands via evolutionary de novo design and rapid parallel synthesis
inferredcites →https://doi.org/10.1007/s10565-006-0176-zopenalex-snapshot
Validation of an in vitro screen for phospholipidosis using a high-content biology platform
inferredcites →https://doi.org/10.1016/j.bmc.2007.09.026openalex-snapshot
The use of ligand-based de novo design for scaffold hopping and sidechain optimization: Two case studies
inferredcites →https://doi.org/10.1016/j.drudis.2006.05.012openalex-snapshot
Virtual ligand screening: strategies, perspectives and limitations
inferredcites →https://doi.org/10.1016/j.pharmthera.2008.05.009openalex-snapshot
The hERG potassium channel and hERG screening for drug-induced torsades de pointes
inferredcites →https://doi.org/10.1016/s0008-6363(02)00846-5openalex-snapshot
Relationships between preclinical cardiac electrophysiology, clinical QT interval prolongation and torsade de pointes for a broad range of drugs: evidence for a provisional safety margin in drug development
inferredcites →https://doi.org/10.1016/s0014-2999(02)02049-6openalex-snapshot
Biochemical characterization of desloratadine, a potent antagonist of the human histamine H1 receptor
inferredcites →https://doi.org/10.1016/s0021-9258(17)42004-7openalex-snapshot
The role of histidine 265 in antagonist binding to the neurokinin-1 receptor.
inferredcites →https://doi.org/10.1016/s0026-895x(25)12816-2openalex-snapshot
Three-dimensional models of neurotransmitter G-binding protein-coupled receptors.
inferredcites →https://doi.org/10.1016/s0031-6997(25)00446-6openalex-snapshot
Angiotensin II receptors and angiotensin II receptor antagonists.
inferredcites →https://doi.org/10.1016/s0893-133x(02)00313-5openalex-snapshot
The Gerbil Elevated Plus-maze II Anxiolytic-like Effects of Selective Neurokinin NK1 Receptor Antagonists
inferredcites →https://doi.org/10.1016/s0960-894x(00)80044-xopenalex-snapshot
Angiotensin II receptor antagonists containing a phenylpyridine element.
inferredcites →https://doi.org/10.1016/s0960-894x(00)80335-2openalex-snapshot
Quinazolinones 2: QSAR and in vivo characterization of AT1 selective AII antagonists
inferredcites →https://doi.org/10.1016/s1359-6446(00)01517-8openalex-snapshot
Diversity screening versus focussed screening in drug discovery
inferredcites →https://doi.org/10.1016/s1359-6446(02)02483-2openalex-snapshot
Structure-based virtual screening: an overview
inferredcites →https://doi.org/10.1016/s1359-6446(05)03717-7openalex-snapshot
Structure-based development of target-specific compound libraries
inferredcites →https://doi.org/10.1021/ci025605oopenalex-snapshot
CLIP: Similarity Searching of 3D Databases Using Clique Detection
inferredcites →https://doi.org/10.1021/ci034043lopenalex-snapshot
Development of a Method for Evaluating Drug-Likeness and Ease of Synthesis Using a Data Set in Which Compounds Are Assigned Scores Based on Chemists' Intuition
inferredcites →https://doi.org/10.1021/ci050369dopenalex-snapshot
The Molecule Evoluator. An Interactive Evolutionary Algorithm for the Design of Drug-Like Molecules
inferredcites →https://doi.org/10.1021/ci060084gopenalex-snapshot
Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large-Scale Survey on the Retrieval of Protein-Bound Ligand Conformations
inferredcites →https://doi.org/10.1021/ci600253eopenalex-snapshot
A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application
inferredcites →https://doi.org/10.1021/ci6005307openalex-snapshot
Flux (2): Comparison of Molecular Mutation and Crossover Operators for Ligand-Based de Novo Design
inferredcites →https://doi.org/10.1021/ci700424bopenalex-snapshot
Fragment-Based de Novo Ligand Design by Multiobjective Evolutionary Optimization
inferredcites →https://doi.org/10.1021/ci800308hopenalex-snapshot
De Novo Drug Design Using Multiobjective Evolutionary Graphs
inferredcites →https://doi.org/10.1021/jm00006a012openalex-snapshot
Synthesis and Biological Evaluation of NK1 Antagonists Derived from L-Tryptophan
inferredcites →https://doi.org/10.1021/jm00100a007openalex-snapshot
New nonpeptide angiotensin II receptor antagonists. 2. Synthesis, biological properties, and structure-activity relationships of 2-alkyl-4-(biphenylylmethoxy)quinoline derivatives
inferredcites →https://doi.org/10.1021/jm049740zopenalex-snapshot
Assessment of the Consistency of Medicinal Chemists in Reviewing Sets of Compounds
inferredcites →https://doi.org/10.1021/jm0603365openalex-snapshot
Comparison of Shape-Matching and Docking as Virtual Screening Tools
inferredcites →https://doi.org/10.1021/jm061356+openalex-snapshot
Designing Active Template Molecules by Combining Computational De Novo Design and Human Chemist's Expertise
inferredcites →https://doi.org/10.1021/jm070750kopenalex-snapshot
Tagged Fragment Method for Evolutionary Structure-Based De Novo Lead Generation and Optimization
inferredcites →https://doi.org/10.1021/jm901200topenalex-snapshot
De Novo Design of a Picomolar Nonbasic 5-HT1BReceptor Antagonist
inferredcites →https://doi.org/10.1023/a:1008184403558openalex-snapshot
De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks
inferredcites →https://doi.org/10.1038/nature03193openalex-snapshot
Navigating chemical space for biology and medicine
inferredcites →https://doi.org/10.1038/nature03197openalex-snapshot
Virtual screening of chemical libraries
inferredcites →https://doi.org/10.1038/nrd1799openalex-snapshot
Computer-based de novo design of drug-like molecules
inferredcites →https://doi.org/10.1124/jpet.103.058784openalex-snapshot
Anxiolytic-Like Effects of the Corticotropin-Releasing Factor1 (CRF1) Antagonist DMP904 [4-(3-pentylamino)-2,7-dimethyl-8-(2-methyl-4-methoxyphenyl)-pyrazolo-[1,5-a]-pyrimidine] Administered Acutely or Chronically at Doses Occupying Central CRF1 Receptors in Rats
inferredcites →https://doi.org/10.1517/14740338.5.4.567openalex-snapshot
Drug-induced phospholipidosis: issues and future directions
inferredcites →https://doi.org/10.2174/1568026023393903openalex-snapshot
Recent Advances in 5-HT1B / 1D Receptor Antagonists and Agonists and their Potential Therapeutic Applications
inferredcites →https://doi.org/10.2174/156802606775193310openalex-snapshot
Diversity in Medicinal Chemistry Space
inferredcites →https://doi.org/10.2174/156802608783955665openalex-snapshot
Small Molecule Antagonists of the Corticotropin Releasing Factor (CRF)Receptor: Recent Medicinal Chemistry Developments
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527677016.ch1openalex-snapshot
De NovoDesign: From Models to Molecules
inferred← citeshttps://doi.org/10.1002/9783527677016.ch7openalex-snapshot
Pharmacophore‐Based De Novo Design
inferred← citeshttps://doi.org/10.1002/9783527677047.ch15openalex-snapshot
Predictive Methods in Lead Generation
inferred← citeshttps://doi.org/10.1002/med.21255openalex-snapshot
Fragment Informatics and Computational Fragment‐Based Drug Design: An Overview and Update
inferred← citeshttps://doi.org/10.1002/wcms.49openalex-snapshot
Enabling future drug discovery by de novo design
inferred← citeshttps://doi.org/10.1007/978-1-4939-7756-7_5openalex-snapshot
De Novo Design of Ligands Using Computational Methods
inferred← citeshttps://doi.org/10.1007/s10822-011-9473-6openalex-snapshot
De novo design by pharmacophore-based searches in fragment spaces
inferred← citeshttps://doi.org/10.1016/b978-0-12-821978-2.00007-6openalex-snapshot
Heuristics and Uncertainty Quantification in Rational and Inverse Compound and Catalyst Design
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00697openalex-snapshot
Multistep Reaction Based De Novo Drug Design: Generating Synthetically Feasible Design Ideas
inferred← citeshttps://doi.org/10.1021/ci400418copenalex-snapshot
De Novo Design of Drug-Like Molecules by a Fragment-Based Molecular Evolutionary Approach
inferred← citeshttps://doi.org/10.1021/ci5006355openalex-snapshot
Evaluation of a Semi-Automated Workflow for Fragment Growing
inferred← citeshttps://doi.org/10.1038/srep31247openalex-snapshot
Novel ligands of Choline Acetyltransferase designed by in silico molecular docking, hologram QSAR and lead optimization
inferred← citeshttps://doi.org/10.1109/tevc.2024.3382145openalex-snapshot
A Survey on Evolutionary Computation-Based Drug Discovery
inferred← citeshttps://doi.org/10.1208/s12248-018-0216-7openalex-snapshot
Computational Fragment-Based Drug Design: Current Trends, Strategies, and Applications
inferred← citeshttps://doi.org/10.1248/yakushi.15-00230-3openalex-snapshot
In Silico Drug Design Using an Evolutionary Algorithm and Compound Database
inferred← citeshttps://doi.org/10.1517/17460441.2011.554394openalex-snapshot
The quest for novel chemical matter and the contribution of computer-aidedde novodesign
inferred← citeshttps://doi.org/10.1517/17460441.2014.913565openalex-snapshot
Advances in multiparameter optimization methods for de novo drug design
inferred← citeshttps://doi.org/10.2174/138955712802762284openalex-snapshot
Multi-Objective Optimization Methods in De Novo Drug Design
inferred← citeshttps://doi.org/10.2174/1568026614666140929115506openalex-snapshot
Revisiting De Novo Drug Design: Receptor Based Pharmacophore Screening
inferred← citeshttps://doi.org/10.2174/1570180816666190703152659openalex-snapshot
Lead Molecules as Novel Aromatase Inhibitors: In Silico De Novo Designing and Binding Affinity Studies
inferred← citeshttps://doi.org/10.2751/jcac.16.15openalex-snapshot
A Mini-review on Chemoinformatics Approaches for Drug Discovery
inferred← citeshttps://doi.org/10.70675/c04eeb3az351fz48ddza731z6ad3d5044e23openalex-snapshot
Développement d'outils de chémoinformatique pour l'identification d'inhibiteurs de protéines kinases à partir de fragments
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