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Exploring Chemical Space for Drug Discovery Using the Chemical Universe Database
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Visualisation and subsets of the chemical universe database GDB-13 for virtual screening
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Systems Biology and Systems Chemistry: New Directions for Drug Discovery
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From data to scent: validating an ensemble AI model that predicts novel insect odourant interactions
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Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model
inferred← citeshttps://doi.org/10.1007/s10822-026-00811-8openalex-snapshot
Quantifying conformational diversity in protein–ligand ensembles for structure-based virtual screening
inferred← citeshttps://doi.org/10.1007/s11030-021-10311-6openalex-snapshot
Solvent-free synthesis of new spiropyrroloindole compounds using Fe3O4/TiO2/MWCNTs MNCs via multicomponent reactions: assessment of new spiropyrroloindole antioxidant activity
inferred← citeshttps://doi.org/10.1007/s11030-022-10588-1openalex-snapshot
Curation and cheminformatics analysis of a Ugi-reaction derived library (URDL) of synthetically tractable small molecules for virtual screening application
inferred← citeshttps://doi.org/10.1007/s11030-023-10754-zopenalex-snapshot
Green preparation of new pyrimidine triazole derivatives via one-pot multicomponent reactions of guanidine
inferred← citeshttps://doi.org/10.1007/s11030-023-10803-7openalex-snapshot
Green synthesis and investigation of antioxidant and antibacterial activity of new derivatives of chromenoazepines employing CuO/TiO2@MWCNTs
inferred← citeshttps://doi.org/10.1007/s11094-013-0958-6openalex-snapshot
Virtual Screening for Potential Substances for the Prophylaxis of HIV Infection in Libraries of Commercially Available Organic Compounds
inferred← citeshttps://doi.org/10.1007/s11224-019-01394-xopenalex-snapshot
Computational basis for the design of PLK-2 inhibitors
inferred← citeshttps://doi.org/10.1007/s11426-024-2214-0openalex-snapshot
Enantioselective copper-catalyzed dearomative borylative cyclization of indoles and mechanistic insights
inferred← citeshttps://doi.org/10.1007/s12039-017-1268-4openalex-snapshot
Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis $$(\mathbf{MPDS}^{\mathbf{TB}})$$ ( MPDS TB )
inferred← citeshttps://doi.org/10.1007/s40484-018-0161-6openalex-snapshot
Computational methods and applications for quantitative systems pharmacology
inferred← citeshttps://doi.org/10.1007/s42484-026-00356-xopenalex-snapshot
Quantum-classical generative models for drug design
inferred← citeshttps://doi.org/10.1007/s44442-026-00079-5openalex-snapshot
Green synthesis and evaluation of biological activity of novel iminopyridopyrimidine employing APTES@SiO2@Fe3O4-SO3H as nanocatalyst
inferred← citeshttps://doi.org/10.1016/b978-0-12-813745-1.00001-5openalex-snapshot
Introduction and historical background: the “inside” story of comprehensive two-dimensional gas chromatography
inferred← citeshttps://doi.org/10.1016/b978-0-12-816125-8.00008-0openalex-snapshot
Data-Driven Systems Level Approaches for Drug Repurposing: Combating Drug Resistance in Priority Pathogens
inferred← citeshttps://doi.org/10.1016/b978-0-12-816125-8.00015-8openalex-snapshot
Application of In Silico Drug Repurposing in Infectious Diseases
inferred← citeshttps://doi.org/10.1016/b978-0-12-819132-3.00014-2openalex-snapshot
Virtual screening in drug discovery: a precious tool for a still-demanding challenge
inferred← citeshttps://doi.org/10.1016/b978-0-12-820007-0.00007-6openalex-snapshot
Structure–activity relationships and drug design
inferred← citeshttps://doi.org/10.1016/b978-0-12-824304-6.00001-8openalex-snapshot
Drug discovery: Standing on the shoulders of giants
inferred← citeshttps://doi.org/10.1016/b978-0-443-40338-5.00017-2openalex-snapshot
Generative models for molecule generation
inferred← citeshttps://doi.org/10.1016/j.bbadva.2025.100143openalex-snapshot
Transforming monosaccharides: Recent advances in rare sugar production and future exploration
inferred← citeshttps://doi.org/10.1016/j.bbrc.2024.150989openalex-snapshot
Identification and characterization of a surfactin from Pseudomonas gessardii: A symbiotic bacterium with potent anticancer activity
inferred← citeshttps://doi.org/10.1016/j.bioorg.2020.104000openalex-snapshot
Diversity-oriented generation and biological evaluation of new chemical scaffolds bearing a 2,2-dimethyl-2H-chromene unit: Discovery of novel potent ANO1 inhibitors
inferred← citeshttps://doi.org/10.1016/j.bioorg.2022.106126openalex-snapshot
Nicotinonitrile-derived apoptotic inducers: Design, synthesis, X-ray crystal structure and Pim kinase inhibition
inferred← citeshttps://doi.org/10.1016/j.bioorg.2022.106280openalex-snapshot
Synthesis, pharmacological evaluation, DFT calculation, and theoretical investigation of spirocyclohexane derivatives
inferred← citeshttps://doi.org/10.1016/j.bmcl.2019.03.044openalex-snapshot
Design, synthesis, and biological evaluation of novel pyrrolo[1,2-a]pyrazine derivatives
inferred← citeshttps://doi.org/10.1016/j.chempr.2023.02.020openalex-snapshot
Data science enables the development of a new class of chiral phosphoric acid catalysts
inferred← citeshttps://doi.org/10.1016/j.chom.2025.09.005openalex-snapshot
Deep learning helps fight against antibiotic resistance
inferred← citeshttps://doi.org/10.1016/j.cocom.2020.e00503openalex-snapshot
Application of an inverse-design method for designing new branched thiophene oligomers for bulk-heterojunction solar cells
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Machine learning to support prospective life cycle assessment of emerging chemical technologies
inferred← citeshttps://doi.org/10.1016/j.commatsci.2019.109498openalex-snapshot
Can machine learning find extraordinary materials?
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Applicability-domain-aware cheminformatics and structure-based prioritization of HER2 kinase inhibitor analogs
inferred← citeshttps://doi.org/10.1016/j.csbj.2016.04.004openalex-snapshot
Computational approaches in target identification and drug discovery
inferred← citeshttps://doi.org/10.1016/j.csbj.2022.07.049openalex-snapshot
On modeling and utilizing chemical compound information with deep learning technologies: A task-oriented approach
inferred← citeshttps://doi.org/10.1016/j.csbj.2025.08.031openalex-snapshot
Leveraging molecular graphs for natural product classification
inferred← citeshttps://doi.org/10.1016/j.drudis.2015.04.010openalex-snapshot
Refining the chemical toolbox to be fit for educational and practical purpose for drug discovery in the 21st Century
inferred← citeshttps://doi.org/10.1016/j.drudis.2016.02.004openalex-snapshot
Filtering promiscuous compounds in early drug discovery: is it a good idea?
inferred← citeshttps://doi.org/10.1016/j.drudis.2017.07.013openalex-snapshot
Polypharmacology of conformationally locked methanocarba nucleosides
inferred← citeshttps://doi.org/10.1016/j.drudis.2022.03.017openalex-snapshot
Machine Learning guided early drug discovery of small molecules
inferred← citeshttps://doi.org/10.1016/j.drudis.2025.104392openalex-snapshot
Chemical space visual navigation in the era of deep learning and Big Data
inferred← citeshttps://doi.org/10.1016/j.drudis.2026.104655openalex-snapshot
Foundation models and AI agents in oncology drug discovery
inferred← citeshttps://doi.org/10.1016/j.drudis.2026.104794openalex-snapshot
From chemical space to synthetic reality: A framework for makeable-by-design generative AI in drug discovery
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Expansion of chemical space based on a pyrrolo[1,2-a]pyrazine core: Synthesis and its anticancer activity in prostate cancer and breast cancer cells
inferred← citeshttps://doi.org/10.1016/j.ejmech.2026.119098openalex-snapshot
Exploring chemical space based on Transformation to design broad-spectrum 3CLpro inhibitors against coronavirus
inferred← citeshttps://doi.org/10.1016/j.enmf.2026.07.005openalex-snapshot
Molecular generation and its applications in energetic molecule design: Advances, opportunities, and challenges
inferred← citeshttps://doi.org/10.1016/j.ibmed.2026.100399openalex-snapshot
ctDrug: Conditional target-aware drug design based on decoder transformer and cross-attention
inferred← citeshttps://doi.org/10.1016/j.ijpx.2025.100393openalex-snapshot
Making in vitro release and formulation data AI-ready: A foundation for streamlined nanomedicine development
inferred← citeshttps://doi.org/10.1016/j.isci.2024.110511openalex-snapshot
Cell-vision fusion: A Swin transformer-based approach for predicting kinase inhibitor mechanism of action from Cell Painting data
inferred← citeshttps://doi.org/10.1016/j.jff.2015.04.038openalex-snapshot
Chemometrics and cheminformatics in the analysis of biologically active peptides from food sources
inferred← citeshttps://doi.org/10.1016/j.jinorgbio.2025.113092openalex-snapshot
Designing antibacterial Bi(III)-, Ga(III)- and Sb(III)-Thiosemicarbazone complexes to enhance lead compound development
inferred← citeshttps://doi.org/10.1016/j.jmgm.2020.107654openalex-snapshot
Optimizing small conjugated molecules for solar-cell applications using an inverse-design method
inferred← citeshttps://doi.org/10.1016/j.nexres.2025.100511openalex-snapshot
Exploring the molecular potential of natural products against COVID-19 through molecular modeling and machine learning
inferred← citeshttps://doi.org/10.1016/j.pbiomolbio.2014.09.007openalex-snapshot
Efficient exploration of chemical space by fragment-based screening
inferred← citeshttps://doi.org/10.1016/j.pestbp.2026.107190openalex-snapshot
Pharmaceutical-inspired insecticide discovery: Artificial intelligence, chemoinformatics, and target-based design for next-generation insect control
inferred← citeshttps://doi.org/10.1016/j.pharma.2026.01.007openalex-snapshot
A review exploring the translational perspective of artificial intelligence in drug discovery and formulation development
inferred← citeshttps://doi.org/10.1016/j.physrep.2020.02.003openalex-snapshot
A perspective on conventional high-temperature superconductors at high pressure: Methods and materials
inferred← citeshttps://doi.org/10.1016/j.pmatsci.2024.101392openalex-snapshot
Impact of inhibition mechanisms, automation, and computational models on the discovery of organic corrosion inhibitors
inferred← citeshttps://doi.org/10.1016/j.scib.2025.07.007openalex-snapshot
Integrating AI into OLED material design: a comprehensive review of computational frameworks, challenges, and opportunities
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2012.10.092openalex-snapshot
Lower-dose prescribing: Minimizing “side effects” of pharmaceuticals on society and the environment
inferred← citeshttps://doi.org/10.1016/j.slasd.2025.100234openalex-snapshot
New homocysteine consumption assay for high-throughput screening of human cystathionine-β-synthase
inferred← citeshttps://doi.org/10.1016/j.tchem.2023.100055openalex-snapshot
Ynones in dearomative spirocyclisation processes; a review
inferred← citeshttps://doi.org/10.1016/j.tetasy.2016.05.003openalex-snapshot
Enantiopure hydroxymethylated cycloalkenols as privileged small molecular multifunctional scaffolds for the asymmetric synthesis of carbocycles
inferred← citeshttps://doi.org/10.1016/j.trechm.2020.11.004openalex-snapshot
Defining and Exploring Chemical Spaces
inferred← citeshttps://doi.org/10.1016/j.ymeth.2023.01.004openalex-snapshot
Explore drug-like space with deep generative models
inferred← citeshttps://doi.org/10.1021/acs.analchem.0c04341openalex-snapshot
Exploring the Impacts of Conformer Selection Methods on Ion Mobility Collision Cross Section Predictions
inferred← citeshttps://doi.org/10.1021/acs.analchem.3c00849openalex-snapshot
A Structure-Guided Molecular Network Strategy for Global Untargeted Metabolomics Data Annotation
inferred← citeshttps://doi.org/10.1021/acs.analchem.8b04567openalex-snapshot
ISiCLE: A Quantum Chemistry Pipeline for Establishing in Silico Collision Cross Section Libraries
inferred← citeshttps://doi.org/10.1021/acs.analchem.9b05772openalex-snapshot
Breaking Down Structural Diversity for Comprehensive Prediction of Ion-Neutral Collision Cross Sections
inferred← citeshttps://doi.org/10.1021/acs.chemrev.0c00901openalex-snapshot
Quantum Chemistry Calculations for Metabolomics
inferred← citeshttps://doi.org/10.1021/acs.chemrev.5c00689openalex-snapshot
Molecular Design with Artificial Intelligence: Progress and Perspectives for Small Molecules
inferred← citeshttps://doi.org/10.1021/acs.chemrev.7b00480openalex-snapshot
Group 6 Dihapto-Coordinate Dearomatization Agents for Organic Synthesis
inferred← citeshttps://doi.org/10.1021/acs.est.3c03606openalex-snapshot
Critical Assessment of the Chemical Space Covered by LC–HRMS Non-Targeted Analysis
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00583openalex-snapshot
The Derivation of a Matched Molecular Pairs Based ADME/Tox Knowledge Base for Compound Optimization
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00936openalex-snapshot
Chemography: Searching for Hidden Treasures
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c01019openalex-snapshot
Ligand- and Structure-Based Analysis of Deep Learning-Generated Potential α2a Adrenoceptor Agonists
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00168openalex-snapshot
pdCSM-cancer: Using Graph-Based Signatures to Identify Small Molecules with Anticancer Properties
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00519openalex-snapshot
Explainable Molecular Sets: Using Information Theory to Generate Meaningful Descriptions of Groups of Molecules
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00944openalex-snapshot
EViS: An Enhanced Virtual Screening Approach Based on Pocket–Ligand Similarity
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c01013openalex-snapshot
Diversity and Chemical Library Networks of Large Data Sets
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c01436openalex-snapshot
Deep Learning Model for Efficient Protein–Ligand Docking with Implicit Side-Chain Flexibility
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c00293openalex-snapshot
A Simple Way to Incorporate Target Structural Information in Molecular Generative Models
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c00667openalex-snapshot
SILVR: Guided Diffusion for Molecule Generation
inferred← citeshttps://doi.org/10.1021/acs.jcim.4c01364openalex-snapshot
Kinetics-Based State Definitions for Discrete Binding Conformations of T4 L99A in MD via Markov State Modeling
inferred← citeshttps://doi.org/10.1021/acs.jcim.4c02373openalex-snapshot
MHNfs: Prompting In-Context Bioactivity Predictions for Low-Data Drug Discovery
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00182openalex-snapshot
Similarity Mapplet: Interactive Visualization of the Directory of Useful Decoys and ChEMBL in High Dimensional Chemical Spaces
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00574openalex-snapshot
Hydrogen-Bond Accepting Properties of New Heteroaromatic Ring Chemical Motifs: A Theoretical Study
inferred← citeshttps://doi.org/10.1021/acs.jcim.5c00107openalex-snapshot
Integrating Pharmacokinetics and Quantitative Systems Pharmacology Approaches in Generative Drug Design
inferred← citeshttps://doi.org/10.1021/acs.jcim.5c01364openalex-snapshot
Chemical Space Exploration with Artificial “Mindless” Molecules
inferred← citeshttps://doi.org/10.1021/acs.jcim.5c01541openalex-snapshot
CNSGT: Generative Transformer for De Novo Drug Design Targeting the Central Nervous System
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00006openalex-snapshot
Mapping of Drug-like Chemical Universe with Reduced Complexity Molecular Frameworks
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00258openalex-snapshot
An Analysis of Different Components of a High-Throughput Screening Library
inferred← citeshttps://doi.org/10.1021/acs.jctc.6c00158openalex-snapshot
Quantum Inner Product Scoring with Grid-Based Maps for Structure-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/acs.jnatprod.1c00399openalex-snapshot
NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products
inferred← citeshttps://doi.org/10.1021/acs.joc.2c02561openalex-snapshot
Synthesis of Spiro[indole-3,3′-pyrrolidine]-2′-(thi)ones
inferred← citeshttps://doi.org/10.1021/acs.joc.6c00683openalex-snapshot
Brønsted Acid-Catalyzed Three-Component One-Pot Regiospecific Synthesis of Functionalized N -Fused 6-Aryl- N -aryl-imidazo[2,1- b ][1,3,4]thiadiazol-5-amine and 5-Aroyl-5,7,8,9-tetrahydro-6 H -[1,3,4]thiadiazolo[2,3- b ]quinazolin-6-one: N - vs C -Nucleophile Control Selectivity Switch between…
inferred← citeshttps://doi.org/10.1021/acs.joc.6c00794openalex-snapshot
Scalable Annulation Approach to Functionalized 1-Azabicycloalkanes
inferred← citeshttps://doi.org/10.1021/acs.joc.7b02858openalex-snapshot
Synthesis of Structurally Diverse Emissive Molecular Rotors with Four-Component Ugi Stators
inferred← citeshttps://doi.org/10.1021/acs.joc.9b00279openalex-snapshot
Highly Functionalized Cyclohexenes Derived from Benzene: Sequential Tandem Addition Reactions Promoted by Tungsten
inferred← citeshttps://doi.org/10.1021/acs.joc.9b00724openalex-snapshot
Tandem [4+1+1] Annulation Approach to 4-Acyl-3,4-dihydropyrrolo[1,2-a]pyrazines: Diastereoselective Construction of Dihydropyrazine Units from Pyrroles
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c07240openalex-snapshot
Graph to Activation Energy Models Easily Reach Irreducible Errors but Show Limited Transferability
inferred← citeshttps://doi.org/10.1021/acs.organomet.5b00509openalex-snapshot
Synthesis of 2-Substituted 1,2-Dihydronaphthalenes and 1,2-Dihydroanthracenes Using a Recyclable Molybdenum Dearomatization Agent
inferred← citeshttps://doi.org/10.1021/acs.orglett.5b00618openalex-snapshot
Bespoke SnAP Reagents for the Synthesis of C-Substituted Spirocyclic and Bicyclic Saturated N-Heterocycles
inferred← citeshttps://doi.org/10.1021/acs.orglett.8b01899openalex-snapshot
Visible-Light-Promoted Cascade Alkene Trifluoromethylation and Dearomatization of Indole Derivatives via Intermolecular Charge Transfer
inferred← citeshttps://doi.org/10.1021/acscatal.2c04736openalex-snapshot
Divergent and Synergistic Photocatalysis: Hydro- and Oxoalkylation of Vinyl Arenes for the Stereoselective Synthesis of Cyclopentanols via a Formal [4+1]-Annulation of 1,3-Dicarbonyls
inferred← citeshttps://doi.org/10.1021/acschembio.6b00706openalex-snapshot
What Can We Learn from Bioactivity Data? Chemoinformatics Tools and Applications in Chemical Biology Research
inferred← citeshttps://doi.org/10.1021/acscombsci.7b00056openalex-snapshot
Machine Learning Using Combined Structural and Chemical Descriptors for Prediction of Methane Adsorption Performance of Metal Organic Frameworks (MOFs)
inferred← citeshttps://doi.org/10.1021/acsinfocus.7e5001openalex-snapshot
Virtual Screening for Chemists
inferred← citeshttps://doi.org/10.1021/acsomega.8b00426openalex-snapshot
Rapid Construction of an Imidazo[4,5- b ]pyridine Skeleton from 2-Chloro-3-nitropyridine via Tandem Reaction in H2O-IPA Medium
inferred← citeshttps://doi.org/10.1021/acsomega.8b03200openalex-snapshot
Systematic Enumeration of Elementary Reaction Steps in Surface Catalysis
inferred← citeshttps://doi.org/10.1021/acssuschemeng.4c05293openalex-snapshot
“In-Water” Three-Component One-Pot Reaction for the Facile Synthesis of Densely Functionalized 2,3-Dihydro-1H-pyrrol-2-ols and Mechanistic Insight
inferred← citeshttps://doi.org/10.1021/ar400284topenalex-snapshot
DNA-Encoded Chemical Libraries: Advancing beyond Conventional Small-Molecule Libraries
inferred← citeshttps://doi.org/10.1021/ci300415dopenalex-snapshot
Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17
inferred← citeshttps://doi.org/10.1021/ci300513mopenalex-snapshot
MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13
inferred← citeshttps://doi.org/10.1021/ci300535xopenalex-snapshot
Visualization and Virtual Screening of the Chemical Universe Database GDB-17
inferred← citeshttps://doi.org/10.1021/ci4005173openalex-snapshot
“Social” Network of Isomers Based on Bond Count Distance: Algorithms
inferred← citeshttps://doi.org/10.1021/ci4007497openalex-snapshot
Automated Design of Realistic Organometallic Molecules from Fragments
inferred← citeshttps://doi.org/10.1021/ci500232gopenalex-snapshot
Atom Pair 2D-Fingerprints Perceive 3D-Molecular Shape and Pharmacophores for Very Fast Virtual Screening of ZINC and GDB-17
inferred← citeshttps://doi.org/10.1021/cn4002297openalex-snapshot
Discovery of Potent Positive Allosteric Modulators of the α3β2 Nicotinic Acetylcholine Receptor by a Chemical Space Walk in ChEMBL
inferred← citeshttps://doi.org/10.1021/co400159zopenalex-snapshot
Regioselective Piperidine-Catalyzed Tandem Imination–Isocyanate Annulation to Fused Tricyclic Triazines
inferred← citeshttps://doi.org/10.1021/jacs.7b05009openalex-snapshot
Molybdenum(0) Dihapto-Coordination of Benzene and Trifluorotoluene: The Stabilizing and Chemo-Directing Influence of a CF3 Group
inferred← citeshttps://doi.org/10.1021/jasms.2c00111openalex-snapshot
High-Throughput Measurement and Machine Learning-Based Prediction of Collision Cross Sections for Drugs and Drug Metabolites
inferred← citeshttps://doi.org/10.1038/s41467-021-23165-1openalex-snapshot
Crowdsourced mapping of unexplored target space of kinase inhibitors
inferred← citeshttps://doi.org/10.1038/s41467-025-63245-0openalex-snapshot
Target-aware 3D molecular generation based on guided equivariant diffusion
inferred← citeshttps://doi.org/10.1038/s41570-020-0176-1openalex-snapshot
Bacteria as genetically programmable producers of bioactive natural products
inferred← citeshttps://doi.org/10.1038/s41597-021-00812-2openalex-snapshot
QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
inferred← citeshttps://doi.org/10.1038/s41598-019-44227-xopenalex-snapshot
AICD: an integrated anti-inflammatory compounds database for drug discovery
inferred← citeshttps://doi.org/10.1038/s41598-020-75029-1openalex-snapshot
Automatic construction of molecular similarity networks for visual graph mining in chemical space of bioactive peptides: an unsupervised learning approach
inferred← citeshttps://doi.org/10.1038/s41598-022-04967-9openalex-snapshot
Selecting molecules with diverse structures and properties by maximizing submodular functions of descriptors learned with graph neural networks
inferred← citeshttps://doi.org/10.1038/sdata.2018.62openalex-snapshot
The Alexandria library, a quantum-chemical database of molecular properties for force field development
inferred← citeshttps://doi.org/10.1039/9781839160721-00175openalex-snapshot
Use of Phenotypic Screening in Mice in the Development of a Novel Non-D2-Receptor-Targeting Drug for the Treatment of Schizophrenia
inferred← citeshttps://doi.org/10.1039/c3cs60423copenalex-snapshot
Anthropogenic reaction parameters – the missing link between chemical intuition and the available chemical space
inferred← citeshttps://doi.org/10.1039/c5cc05070gopenalex-snapshot
Facile access to a heterocyclic, sp 3 -rich chemical scaffold via a tandem condensation/intramolecular nitrone–alkene [3+2] cycloaddition strategy
inferred← citeshttps://doi.org/10.1039/c7cs00508copenalex-snapshot
Recent advances in spirocyclization of indole derivatives
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