| scholarly article | Q13442814 |
| P356 | DOI | 10.1039/C7OB02193C |
| P698 | PubMed publication ID | 29085945 |
| P50 | author | Tiago Rodrigues | Q42726535 |
| P2860 | cites work | Capturing Biological Activity in Natural Product Fragments by Chemical Synthesis | Q26772873 |
| Natural-product-derived fragments for fragment-based ligand discovery | Q27683610 | ||
| The evolving role of natural products in drug discovery | Q28236671 | ||
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| TCM Database@Taiwan: the world's largest traditional Chinese medicine database for drug screening in silico | Q28476702 | ||
| DOGS: reaction-driven de novo design of bioactive compounds | Q28480868 | ||
| ZINC 15--Ligand Discovery for Everyone | Q28607096 | ||
| Relating protein pharmacology by ligand chemistry | Q29617492 | ||
| Charting biologically relevant chemical space: a structural classification of natural products (SCONP) | Q30351855 | ||
| Docking Screens for Novel Ligands Conferring New Biology | Q30489011 | ||
| Morphinans and isoquinolines: acetylcholinesterase inhibition, pharmacophore modeling, and interaction with opioid receptors. | Q30549678 | ||
| A natural product inhibits the initiation of α-synuclein aggregation and suppresses its toxicity | Q30838501 | ||
| Scaffold architecture and pharmacophoric properties of natural products and trade drugs: application in the design of natural product-based combinatorial libraries | Q30989136 | ||
| PASS Targets: Ligand-based multi-target computational system based on a public data and naïve Bayes approach | Q30989605 | ||
| ChemGPS-NP: tuned for navigation in biologically relevant chemical space | Q33282287 | ||
| Natural products in drug discovery | Q33359012 | ||
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| Interactive exploration of chemical space with Scaffold Hunter | Q33475598 | ||
| Multi-targeted natural products evaluation based on biological activity prediction with PASS. | Q33539970 | ||
| Functionally Optimized Neuritogenic Farinosone C Analogs: SAR-Study and Investigations on Their Mode of Action | Q33636160 | ||
| SuperPred: update on drug classification and target prediction | Q33860868 | ||
| Biology-oriented synthesis | Q34061956 | ||
| How Chemoproteomics Can Enable Drug Discovery and Development | Q34143272 | ||
| Charting, navigating, and populating natural product chemical space for drug discovery | Q34248306 | ||
| Small molecules of different origins have distinct distributions of structural complexity that correlate with protein-binding profiles | Q34279373 | ||
| Docking and scoring in virtual screening for drug discovery: methods and applications | Q34364227 | ||
| Computer-based de novo design of drug-like molecules | Q34438895 | ||
| The re-emergence of natural products for drug discovery in the genomics era. | Q34459318 | ||
| Natural Products as Sources of New Drugs from 1981 to 2014. | Q34512692 | ||
| Chemical database techniques in drug discovery | Q34743597 | ||
| Combining on-chip synthesis of a focused combinatorial library with computational target prediction reveals imidazopyridine GPCR ligands | Q35054899 | ||
| Biology-oriented synthesis: harnessing the power of evolution | Q35215326 | ||
| De Novo Design at the Edge of Chaos | Q35924943 | ||
| Discovery of depsides and depsidones from lichen as potent inhibitors of microsomal prostaglandin E2 synthase-1 using pharmacophore models | Q36472921 | ||
| Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for 'Orphan' Molecules | Q37094597 | ||
| Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus | Q37659834 | ||
| Natural products in drug discovery: present status and perspectives | Q37666769 | ||
| Data Resources for the Computer-Guided Discovery of Bioactive Natural Products | Q38602445 | ||
| A Computational Method for Unveiling the Target Promiscuity of Pharmacologically Active Compounds | Q38658125 | ||
| Retrospective analysis of natural products provides insights for future discovery trends | Q38688795 | ||
| Deorphaning the Macromolecular Targets of the Natural Anticancer Compound Doliculide | Q38823478 | ||
| Counting on natural products for drug design | Q38843130 | ||
| (-)-Englerin A is a potent and selective activator of TRPC4 and TRPC5 calcium channels | Q38906824 | ||
| Toward Understanding the Cold, Hot, and Neutral Nature of Chinese Medicines Using in Silico Mode-of-Action Analysis | Q38930855 | ||
| Natural product inspired compound collections: evolutionary principle, chemical synthesis, phenotypic screening, and target identification | Q39396090 | ||
| Unveiling (-)-Englerin A as a Modulator of L-Type Calcium Channels | Q41226155 | ||
| Merging allosteric and active site binding motifs: de novo generation of target selectivity and potency via natural-product-derived fragments. | Q41908389 | ||
| Quantifying the chemical beauty of drugs. | Q42414958 | ||
| In silico target fishing for rationalized ligand discovery exemplified on constituents of Ruta graveolens | Q42418733 | ||
| Antimalarial Activity of Physalins B, D, F, and G | Q42726529 | ||
| Steering target selectivity and potency by fragment-based de novo drug design | Q44053377 | ||
| Revealing the macromolecular targets of complex natural products | Q48251327 | ||
| De-orphaning the marine natural product (±)-marinopyrrole A by computational target prediction and biochemical validation | Q48281767 | ||
| Escape from flatland: increasing saturation as an approach to improving clinical success | Q48833163 | ||
| Deorphaning pyrrolopyrazines as potent multi-target antimalarial agents | Q50469746 | ||
| Chemography of natural product space | Q50954598 | ||
| Kernel approach to molecular similarity based on iterative graph similarity | Q51624754 | ||
| Natural product-likeness score and its application for prioritization of compound libraries | Q51899910 | ||
| Discovery of Novel Cinchona-Alkaloid-Inspired Oxazatwistane Autophagy Inhibitors | Q53569021 | ||
| An analysis of FDA-approved drugs: natural products and their derivatives | Q53629544 | ||
| Identification of Pim Kinases as Novel Targets for PJ34 with Confounding Effects in PARP Biology | Q54480627 | ||
| Chemical Similarity Assessment through Multilevel Neighborhoods of Atoms: Definition and Comparison with the Other Descriptors | Q57009687 | ||
| P433 | issue | 44 | |
| P921 | main subject | natural product | Q901227 |
| cheminformatics | Q910164 | ||
| drug discovery | Q1418791 | ||
| P304 | page(s) | 9275-9282 | |
| P577 | publication date | 2017-10-31 | |
| P1433 | published in | Organic and Biomolecular Chemistry | Q3355939 |
| P1476 | title | Harnessing the potential of natural products in drug discovery from a cheminformatics vantage point | |
| P478 | volume | 15 |
| Q123351283 | Artifical intelligence: a virtual chemist for natural product drug discovery |
| Q91903041 | Innovative omics-based approaches for prioritisation and targeted isolation of natural products - new strategies for drug discovery |
| Q57496141 | Machine intelligence decrypts β-lapachone as an allosteric 5-lipoxygenase inhibitor |
| Q110391837 | Natural product drug discovery in the artificial intelligence era |
| Q64251797 | Predicting Blood⁻Brain Barrier Permeability of Marine-Derived Kinase Inhibitors Using Ensemble Classifiers Reveals Potential Hits for Neurodegenerative Disorders |
| Q90559172 | STarFish: A Stacked Ensemble Target Fishing Approach and its Application to Natural Products |
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