Natural product drug discovery in the artificial intelligence era

scientific article published on 13 December 2021

Natural product drug discovery in the artificial intelligence era is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1039/D1SC04471K

P50authorFabien PlissonQ63968136
P2093author name stringF. I. Saldívar-González
J. L. Medina-Franco
V. D. Aldas-Bulos
P2860cites workInChI, the IUPAC International Chemical IdentifierQ21146620
The HHpred interactive server for protein homology detection and structure predictionQ24530456
A robotic platform for flow synthesis of organic compounds informed by AI planningQ67654159
Isolation and structure of harzianum A: a new trichothecene from Trichoderma harzianumQ72503951
The role of natural products in a modern drug discovery programQ73396825
Performance of similarity measures in 2D fragment-based similarity searching: comparison of structural descriptors and similarity coefficientsQ78552727
Chemical space and biologyQ81153866
CDRUG: a web server for predicting anticancer activity of chemical compoundsQ85227113
Patenting natural products just got harderQ87840647
Scaffold hoppingQ88189333
Statistical Investigation into the Structural Complementarity of Natural Products and Synthetic CompoundsQ88520831
Novel potential agents for ulcerative colitis by molecular topology: suppression of IL-6 production in Caco-2 and RAW 264.7 cell lines.Q46222499
The influence of drug-like concepts on decision-making in medicinal chemistryQ46922861
In silico toxicity profiling of natural product compound libraries from African flora with anti-malarial and anti-HIV propertiesQ47250374
Importance of Rigidity in Designing Small Molecule Drugs To Tackle Protein-Protein Interactions (PPIs) through Stabilization of Desired Conformers.Q47400125
Increased diversity of peptidic natural products revealed by modification-tolerant database search of mass spectra.Q47555721
Harnessing the potential of natural products in drug discovery from a cheminformatics vantage pointQ47626065
Nature is the best source of anti-inflammatory drugs: indexing natural products for their anti-inflammatory bioactivity.Q47669014
De Novo Design of Bioactive Small Molecules by Artificial Intelligence.Q47741086
Automating drug discoveryQ47780833
Recurrent Neural Network Model for Constructive Peptide DesignQ48199204
Revealing the macromolecular targets of complex natural productsQ48251327
De-orphaning the marine natural product (±)-marinopyrrole A by computational target prediction and biochemical validation.Q48281767
A diversity oriented synthesis of natural product inspired molecular libraries.Q48626870
Escape from flatland: increasing saturation as an approach to improving clinical success.Q48833163
A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood.Q49170393
The rise of deep learning in drug discovery.Q49794212
The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and BioinformaticsQ27061829
Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?Q27702310
Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular NetworkingQ27818844
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settingsQ27861111
Ligand Fishing: A Remarkable Strategy for Discovering Bioactive Compounds from Complex Mixture of Natural ProductsQ28078597
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rulesQ28090714
Target-oriented and diversity-oriented organic synthesis in drug discoveryQ28138837
The evolving role of natural products in drug discoveryQ28236671
A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interactionQ28237717
Analysis of biological processes and diseases using text mining approachesQ28266447
Evolution of polyketide synthases in bacteriaQ28267392
Text-mining solutions for biomedical research: enabling integrative biologyQ28465613
Understanding and classifying metabolite space and metabolite-likenessQ28478426
DOGS: reaction-driven de novo design of bioactive compoundsQ28480868
ZINC 15--Ligand Discovery for EveryoneQ28607096
KnowLife: a versatile approach for constructing a large knowledge graph for biomedical sciencesQ28646868
Best Practices for QSAR Model Development, Validation, and ExploitationQ28649930
Open-source platform to benchmark fingerprints for ligand-based virtual screeningQ28681290
Natural product-likeness score revisited: an open-source, open-data implementationQ28727975
Global mapping of pharmacological spaceQ29615876
Extended-connectivity fingerprintsQ29616639
Relating protein pharmacology by ligand chemistryQ29617492
What can a chemist learn from nature's macrocycles?--a brief, conceptual view.Q30320257
Charting biologically relevant chemical space: a structural classification of natural products (SCONP)Q30351855
Comparison of topological, shape, and docking methods in virtual screening.Q30362572
Computer-Assisted Synthetic Planning: The End of the Beginning.Q30386672
Bioactivity-guided navigation of chemical spaceQ30389362
Natural products as starting points for future anti-malarial therapies: going back to our roots?Q30396384
Novel chemical space exploration via natural productsQ30488200
Similarity coefficients for binary chemoinformatics data: overview and extended comparison using simulated and real data setsQ30573872
Prediction of 'drug-likeness'.Q30829130
Pursuing the leadlikeness concept in pharmaceutical research.Q30832332
Natural products and combinatorial chemistry: back to the futureQ30832368
Libraries from natural product-like scaffoldsQ30832378
Computational planning of the synthesis of complex natural productsQ100531000
Deep learning enables discovery of highly potent anti-osteoporosis natural productsQ101409139
Ethnobotany and the Role of Plant Natural Products in Antibiotic Drug DiscoveryQ101464060
Fragment Library of Natural Products and Compound Databases for Drug DiscoveryQ101561748
Computer Assisted Structure Elucidation (CASE): Current and Future PerspectivesQ102071424
Cheminformatics to Characterize Pharmacologically Active Natural ProductsQ102207843
Comprehensive prediction of secondary metabolite structure and biological activity from microbial genome sequencesQ103028703
Expansion of RiPP biosynthetic space through integration of pan-genomics and machine learning uncovers a novel class of lantibioticsQ104558041
Informatics for Chemistry, Biology, and Biomedical SciencesQ104683338
COCONUT online: Collection of Open Natural Products databaseQ104840023
The LOTUS Initiative for Open Natural Products Research: Knowledge Management through WikidataQ105742243
Visualization of very large high-dimensional data sets as minimum spanning treesQ106856815
One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolomeQ106856841
Natural products in drug discovery: advances and opportunitiesQ107031219
A Machine Learning Bioinformatics Method to Predict Biological Activity from Biosynthetic Gene ClustersQ108127361
DECIMER: towards deep learning for chemical image recognitionQ109228844
Integrating genomics and metabolomics for scalable non-ribosomal peptide discoveryQ111858324
A Deep Learning-Based Approach for Identifying the Medicinal Uses of Plant-Derived Natural CompoundsQ112063369
Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo DesignQ112579991
Rationality over fashion and hype in drug designQ113240471
Strategies for Database Dereplication of Natural ProductsQ114829089
Mining genomes to illuminate the specialized chemistry of lifeQ114867173
Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019Q114867582
The Design-Build-Test-Learn cycle for metabolic engineering of StreptomycetesQ114867604
MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insightsQ114872580
The year 2020 in natural product bioinformatics: an overview of the latest tools and databasesQ114873619
Algorithmic Discovery of Tactical Combinations for Advanced Organic SynthesesQ126586462
Machine learning: Trends, perspectives, and prospectsQ38549184
Identifying compound efficacy targets in phenotypic drug discoveryQ38566362
ChemMaps: Towards an approach for visualizing the chemical space based on adaptive satellite compounds.Q38631409
A Computational Method for Unveiling the Target Promiscuity of Pharmacologically Active CompoundsQ38658125
druGAN: An Advanced Generative Adversarial Autoencoder Model for de Novo Generation of New Molecules with Desired Molecular Properties in SilicoQ38681438
Computational scaffold hopping: cornerstone for the future of drug design?Q38686087
Information Retrieval and Text Mining Technologies for Chemistry.Q38687421
Deep Convolutional Neural Networks for Image Classification: A Comprehensive Review.Q38733939
Natural product modulators of transient receptor potential (TRP) channels as potential anti-cancer agentsQ38738962
A new genome-mining tool redefines the lasso peptide biosynthetic landscape.Q38752386
Computational Multitarget Drug Design.Q38760828
Improving Drug Design: An Update on Recent Applications of Efficiency Metrics, Strategies for Replacing Problematic Elements, and Compounds in Nontraditional Drug SpaceQ38773975
Deorphaning the Macromolecular Targets of the Natural Anticancer Compound DoliculideQ38823478
Counting on natural products for drug designQ38843130
A renaissance of neural networks in drug discovery.Q38854003
The evolution of genome mining in microbes - a review.Q38858040
Deep Learning in Drug Discovery.Q38918718
Natural products for chronic cough: Text mining the East Asian historical literature for future therapeuticsQ39015366
Cornerstones of CRISPR-Cas in drug discovery and therapyQ39051110
Exploring Intrinsic Dimensionality of Chemical Spaces for Robust QSAR Model Development: A Comparison of Several Statistical ApproachesQ39417041
Opportunities and challenges in phenotypic drug discovery: an industry perspectiveQ39420418
Distinguishing between natural products and synthetic molecules by descriptor Shannon entropy analysis and binary QSAR calculationsQ39550489
Modeling natural anti-inflammatory compounds by molecular topologyQ40362238
An automated Genomes-to-Natural Products platform (GNP) for the discovery of modular natural productsQ40494065
QSAR-assisted virtual screening of lead-like molecules from marine and microbial natural sources for antitumor and antibiotic drug discovery.Q41193471
Unveiling (-)-Englerin A as a Modulator of L-Type Calcium ChannelsQ41226155
RiPPMiner: a bioinformatics resource for deciphering chemical structures of RiPPs based on prediction of cleavage and cross-linksQ41511466
A 'rule of 0.5' for the metabolite-likeness of approved pharmaceutical drugsQ41861993
Synthesis of many different types of organic small molecules using one automated process.Q41889002
Indexing Natural Products for Their Potential Anti-Diabetic Activity: Filtering and Mapping Discriminative Physicochemical PropertiesQ41934499
Beyond the Rule of 5: Lessons Learned from AbbVie's Drugs and Compound Collection.Q41934667
A chemoinformatics approach to the discovery of lead-like molecules from marine and microbial sources en route to antitumor and antibiotic drugs.Q42003848
Ligand-based virtual screening and inductive learning for identification of SIRT1 inhibitors in natural productsQ42041049
Scaffold Hunter: a comprehensive visual analytics framework for drug discovery.Q42695364
Antimalarial activity of physalins B, D, F, and G.Q42726529
Molecular de-novo design through deep reinforcement learningQ42766915
Comparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithmQ42840256
From machine learning to natural product derivatives that selectively activate transcription factor PPARgammaQ43204326
The systematic assessment of traditional evidence from the premodern Chinese medical literature: a text-mining approachQ43448356
Text mining and visualisation of Protein-Protein InteractionsQ44989198
X-ray analysis on the nanogram to microgram scale using porous complexesQ45189113
Nature is the best source of anticancer drugs: Indexing natural products for their anticancer bioactivity.Q45795167
Generative Recurrent Networks for De Novo Drug Design.Q45944255
In silico modeling on ADME properties of natural products: Classification models for blood-brain barrier permeability, its application to traditional Chinese medicine and in vitro experimental validation.Q45947032
Assessing the impact of generative AI on medicinal chemistryQ89455397
Principle and design of pseudo-natural productsQ89518885
Exploring chemical space using natural language processing methodologies for drug discoveryQ89576074
A Convolutional Neural Network-Based Approach for the Rapid Annotation of Molecularly Diverse Natural ProductsQ89654650
Current status of retention time prediction in metabolite identificationQ90124376
NeuRiPP: Neural network identification of RiPP precursor peptidesQ90134530
Reaching for the bright StARs in chemical spaceQ90308262
STarFish: A Stacked Ensemble Target Fishing Approach and its Application to Natural ProductsQ90559172
Chemometrics: a complementary tool to guide the isolation of pharmacologically active natural productsQ90631027
Random forest-based imputation outperforms other methods for imputing LC-MS metabolomics data: a comparative studyQ90634614
A Toolbox for the Identification of Modes of Action of Natural ProductsQ90762608
QBMG: quasi-biogenic molecule generator with deep recurrent neural networkQ91103722
A Bayesian machine learning approach for drug target identification using diverse data typesQ91344512
Two Decades under the Influence of the Rule of Five and the Changing Properties of Approved Oral DrugsQ91426516
Current computational methods for predicting protein interactions of natural productsQ91428220
Unsupervised word embeddings capture latent knowledge from materials science literatureQ91595456
A Review of the Microbial Production of Bioactive Natural Products and BiologicsQ91687884
Rethinking drug design in the artificial intelligence eraQ91698273
Targeting Bacterial Genomes for Natural Product DiscoveryQ91851735
Innovative omics-based approaches for prioritisation and targeted isolation of natural products - new strategies for drug discoveryQ91903041
A Fragment Library of Natural Products and its Comparative Chemoinformatic CharacterizationQ92017254
Dissecting celastrol with machine learning to unveil dark pharmacologyQ92025784
Computationally-assisted discovery and structure elucidation of natural productsQ92060433
DeepRiPP integrates multiomics data to automate discovery of novel ribosomally synthesized natural productsQ92217266
Using deep learning to evaluate peaks in chromatographic dataQ92256165
Exploring Chemical Space with Machine LearningQ92294719
Deep learning in drug discovery: opportunities, challenges and future prospectsQ92386364
Graph convolutional networks for computational drug development and discoveryQ92473128
NaPLeS: a natural products likeness scorer-web application and databaseQ92535760
A deep learning genome-mining strategy for biosynthetic gene cluster predictionQ92537968
Design of Natural-Product-Inspired Multitarget Ligands by Machine LearningQ93024397
Deep learning enables rapid identification of potent DDR1 kinase inhibitorsQ93065084
A general strategy for diversifying complex natural products to polycyclic scaffolds with medium-sized ringsQ93133678
The role of computer-assisted structure elucidation (CASE) programs in the structure elucidation of complex natural productsQ93151618
Development of Natural Compound Molecular Fingerprint (NC-MFP) with the Dictionary of Natural Products (DNP) for natural product-based drug developmentQ94327081
QSAR without bordersQ94477921
Pseudo-natural products and natural product-inspired methods in chemical biology and drug discoveryQ94500572
Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules Including Natural Products and Macrocyclic LigandsQ94529670
Chinese Herbal Medicines for Rheumatoid Arthritis: Text-Mining the Classical Literature for Potentially Effective Natural ProductsQ94959770
Artificial intelligence in chemistry and drug designQ95938036
Machine Learning Applications for Mass Spectrometry-Based MetabolomicsQ96429273
Cheminformatics in Natural Product-Based Drug DiscoveryQ98161215
RRE-Finder: a Genome-Mining Tool for Class-Independent RiPP DiscoveryQ98890354
MicroED in natural product and small molecule researchQ99558675
Text mining for modeling of protein complexes enhanced by machine learningQ99603732
Machine learning approaches for elucidating the biological effects of natural productsQ99638623
Assigning the Origin of Microbial Natural Products by Chemical Space Map and Machine LearningQ100393010
A machine-learning-based method for prediction of macrocyclization patterns of polyketides and nonribosomal peptidesQ100429850
Machine learning-guided discovery and design of non-hemolytic peptidesQ100464810
An overview of MetaMap: historical perspective and recent advancesQ34372056
Protein-protein interaction predictions using text mining methodsQ34450771
The re-emergence of natural products for drug discovery in the genomics era.Q34459318
Text Mining for Protein DockingQ34504588
Why are secondary metabolites (natural products) biosynthesized?Q34516683
A ring-distortion strategy to construct stereochemically complex and structurally diverse compounds from natural products.Q34592072
Modeling anti-allergic natural compounds by molecular topologyQ34677106
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures.Q35599192
Progress in visual representations of chemical space.Q35669755
Natural product discovery: past, present, and futureQ35887454
The use of isolated natural products as scaffolds for the generation of chemically diverse screening libraries for drug discoveryQ35887644
Classification of scaffold-hopping approachesQ35893996
De Novo Design at the Edge of ChaosQ35924943
Lessons from natural moleculesQ35986033
Prediction of compound-target interactions of natural products using large-scale drug and protein information.Q36094756
Searching molecular structure databases with tandem mass spectra using CSI:FingerID.Q36179301
On the evolution of functional secondary metabolites (natural products)Q36769198
In silico identification of anti-cancer compounds and plants from traditional Chinese medicine database.Q36870882
Function-oriented synthesis, step economy, and drug designQ37045266
The exploration of macrocycles for drug discovery--an underexploited structural classQ37203934
Topic modeling for untargeted substructure exploration in metabolomicsQ37473763
Molecular networking as a dereplication strategyQ37606062
Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensusQ37659834
Text mining for traditional Chinese medical knowledge discovery: a surveyQ37675271
Macrocyclic drugs and clinical candidates: what can medicinal chemists learn from their properties?Q38138640
Design and synthesis of analogues of natural productsQ38398596
'Metabolite-likeness' as a criterion in the design and selection of pharmaceutical drug librariesQ30854803
Function through synthesis-informed designQ30904733
Scaffold architecture and pharmacophoric properties of natural products and trade drugs: application in the design of natural product-based combinatorial librariesQ30989136
Improving the hit-to-lead process: data-driven assessment of drug-like and lead-like screening hitsQ31034164
Data visualization during the early stages of drug discoveryQ31049470
Visual Analysis of Biological Activity Data with Scaffold HunterQ31119028
A comparison of physiochemical property profiles of development and marketed oral drugsQ31135600
From protein domains to drug candidates-natural products as guiding principles in the design and synthesis of compound librariesQ33184231
Advancing chemistry and biology through diversity-oriented synthesis of natural product-like librariesQ33216557
Diversity-oriented synthesis: exploring the intersections between chemistry and biologyQ33231454
Assessing the scaffold diversity of screening librariesQ33237551
ChemGPS-NP: tuned for navigation in biologically relevant chemical spaceQ33282287
Synthesis of flavonoid analogues as scaffolds for natural product-based combinatorial librariesQ33284031
Developing a drug-like natural product libraryQ33318687
Scaffold diversity of natural products: inspiration for combinatorial library designQ33372355
Quantifying biogenic bias in screening librariesQ33456687
Bioactivity-guided mapping and navigation of chemical space.Q33475595
Interactive exploration of chemical space with Scaffold HunterQ33475598
Multi-targeted natural products evaluation based on biological activity prediction with PASS.Q33539970
Targeting protein kinases in central nervous system disordersQ33671660
Diversity-oriented synthesis as a tool for the discovery of novel biologically active small moleculesQ33702000
Drug repositioning for enzyme modulator based on human metabolite-likenessQ33802239
Natural product-like virtual libraries: recursive atom-based enumerationQ33841317
Exploring and exploiting biologically relevant chemical spaceQ33895726
Molecular properties that influence the oral bioavailability of drug candidatesQ34130727
Nonlinear dimensionality reduction and mapping of compound libraries for drug discoveryQ34156744
Reoptimization of MDL keys for use in drug discoveryQ34160151
Property distributions: differences between drugs, natural products, and molecules from combinatorial chemistryQ34172646
Nonleadlikeness and leadlikeness in biochemical screeningQ34174693
Charting, navigating, and populating natural product chemical space for drug discoveryQ34248306
A minimalist fragment approach for the design of natural-product-like synthetic scaffoldsQ34289948
Ribosomally synthesized and post-translationally modified peptide natural products: overview and recommendations for a universal nomenclatureQ34312732
Molecular scaffold analysis of natural products databases in the public domainQ34365901
Performance evaluation of 2D fingerprint and 3D shape similarity methods in virtual screening.Q50497742
Chemography of natural product space.Q50954598
Natural product-likeness score and its application for prioritization of compound libraries.Q51899910
y-Randomization and its variants in QSPR/QSAR.Q51905625
Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.Q51922697
Characteristic physical properties and structural fragments of marketed oral drugs.Q52005766
Computer prediction of possible toxic action from chemical structure: an update on the DEREK system.Q52312915
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.Q52659131
Identification of Estrogen Receptor α Antagonists from Natural Products via In Vitro and In Silico Approaches.Q55207272
Comparison of Shape-Matching and Docking as Virtual Screening ToolsQ56853909
Implications of endogenous roles of transporters for drug discovery: hitchhiking and metabolite-likenessQ56974219
Comparing the chemical spaces of metabolites and available chemicals: models of metabolite-likenessQ56977822
Molecular Descriptors for ChemoinformaticsQ56978888
Computational Methodologies in the Exploration of Marine Natural Product LeadsQ57001336
Chromopynones are pseudo natural product glucose uptake inhibitors targeting glucose transporters GLUT-1 and -3Q57006537
PASS: prediction of activity spectra for biologically active substancesQ57009681
Organic structure determination using atomic-resolution scanning probe microscopyQ57185527
Novelty in the target landscape of the pharmaceutical industryQ57338670
Machine intelligence decrypts β-lapachone as an allosteric 5-lipoxygenase inhibitorQ57496141
Dereplication strategies in natural product research: How many tools and methodologies behind the same concept?Q57817576
Indexing natural products for their antifungal activity by filters-based approach: Disclosure of discriminative propertiesQ58552344
A Brief Overview of Two Major Strategies in Diversity-Oriented Synthesis: Build/Couple/Pair and Ring-DistortionQ58580325
Impact of Molecular Descriptors on Computational ModelsQ58582134
Tuning artificial intelligence on the de novo design of natural-product-inspired retinoid X receptor modulatorsQ58880965
Predictive classifier models built from natural products with antimalarial bioactivity using machine learning approachQ59126454
Computer-Assisted Design of Complex Organic SynthesesQ61779901
A Computer-Driven Approach to Discover Natural Product Leads for Methicillin-Resistant Infection TherapyQ61812090
Natural product derived privileged scaffolds in drug discoveryQ62223687
Inverse molecular design using machine learning: Generative models for matter engineeringQ62495185
From Complex Natural Products to Simple Synthetic Mimetics by Computational De Novo DesignQ62608586
Computer-Assisted Discovery of Retinoid X Receptor Modulating Natural Products and Isofunctional MimeticsQ62618292
Comprehensive and Empirical Evaluation of Machine Learning Algorithms for Small Molecule LC Retention Time PredictionQ62703800
Characterization of the Chemical Space of Known and Readily Obtainable Natural ProductsQ62761938
NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small MoleculesQ62763486
SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure informationQ63352058
Applications of machine learning in drug discovery and development.Q63979755
Informatics and Computational Methods in Natural Product Drug Discovery: A Review and PerspectivesQ64078667
Predicting Blood⁻Brain Barrier Permeability of Marine-Derived Kinase Inhibitors Using Ensemble Classifiers Reveals Potential Hits for Neurodegenerative DisordersQ64251797
P275copyright licenseCreative Commons Attribution-NonCommercial 3.0 UnportedQ18810331
P6216copyright statuscopyrightedQ50423863
P921main subjectartificial intelligenceQ11660
natural productQ901227
drug discoveryQ1418791
P577publication date2021-12-13
P1433published inChemical ScienceQ2962267
P1476titleNatural product drug discovery in the artificial intelligence era

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cites work (P2860)
Q114020979Commentary: Unexpected Novel Chemical Weapon Agents Designed by Innocuous Drug-Development AI (Artificial Intelligence) Algorithm
Q114147556A brief guide to machine learning for antibiotic discovery
Q123351283Artifical intelligence: a virtual chemist for natural product drug discovery
Q125446742Artificial Intelligence and Discovery of Microbial Natural Products
Q115889077Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
Q125386390Exploring Diverse Bioactive Secondary Metabolites from Marine Microorganisms Using Co-Culture Strategy
Q117043683Open data and algorithms for open science in AI-driven molecular informatics
Q115190131Ring systems in natural products: structural diversity, physicochemical properties, and coverage by synthetic compounds
Q125766030Therapeutic Potential of Bioactive Flavonoids from Citrus Fruit Peels toward Obesity and Diabetes Mellitus
Q114868676Updated Trends on the Biodiscovery of New Marine Natural Products from Invertebrates
Q120037169Yin-yang in drug discovery: rethinking de novo design and development of predictive models

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