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Exploring the Biologically Relevant Chemical Space for Drug Discovery
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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/(sici)1098-1128(199601)16:1<3::aid-med1>3.0.co;2-6openalex-snapshot
The art and practice of structure-based drug design: A molecular modeling perspective
inferredcites →https://doi.org/10.1002/(sici)1521-3773(19990301)38:5<643::aid-anie643>3.0.co;2-gopenalex-snapshot
Statistical Investigation into the Structural Complementarity of Natural Products and Synthetic Compounds
inferredcites →https://doi.org/10.1007/978-0-387-77244-8_15openalex-snapshot
Evaluation of performance
inferredcites →https://doi.org/10.1007/s00894-002-0101-1openalex-snapshot
ADME evaluation in drug discovery
inferredcites →https://doi.org/10.1007/s10822-011-9478-1openalex-snapshot
Qualitative prediction of blood–brain barrier permeability on a large and refined dataset
inferredcites →https://doi.org/10.1007/s10822-013-9672-4openalex-snapshot
Estimation of the size of drug-like chemical space based on GDB-17 data
inferredcites →https://doi.org/10.1007/s11030-006-9054-0openalex-snapshot
Comparing the chemical spaces of metabolites and available chemicals: models of metabolite-likeness
inferredcites →https://doi.org/10.1016/j.bmcl.2004.12.024openalex-snapshot
The evolution of synthetic oral drug properties
inferredcites →https://doi.org/10.1016/j.cbpa.2004.04.011openalex-snapshot
Natural products and combinatorial chemistry: back to the future
inferredcites →https://doi.org/10.1016/j.drudis.2008.07.004openalex-snapshot
Natural products in drug discovery
inferredcites →https://doi.org/10.1016/j.drudis.2008.10.011openalex-snapshot
‘Metabolite-likeness’ as a criterion in the design and selection of pharmaceutical drug libraries
inferredcites →https://doi.org/10.1016/j.drudis.2010.12.002openalex-snapshot
Lead optimization in the nondrug-like space
inferredcites →https://doi.org/10.1016/j.drudis.2011.07.003openalex-snapshot
Evolution of the physicochemical properties of marketed drugs: can history foretell the future?
inferredcites →https://doi.org/10.1016/j.drudis.2012.04.001openalex-snapshot
Expanding the medicinally relevant chemical space with compound libraries
inferredcites →https://doi.org/10.1016/s0169-409x(00)00129-0openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s0925-2312(03)00373-4openalex-snapshot
Advanced support vector machines and kernel methods
inferredcites →https://doi.org/10.1016/s1056-8719(00)00107-6openalex-snapshot
Drug-like properties and the causes of poor solubility and poor permeability
inferredcites →https://doi.org/10.1016/s1574-1400(08)00012-1openalex-snapshot
PubChem: Integrated Platform of Small Molecules and Biological Activities
inferredcites →https://doi.org/10.1021/ci0200467openalex-snapshot
Property Distributions: Differences between Drugs, Natural Products, and Molecules from Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/ci0255782openalex-snapshot
Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups
inferredcites →https://doi.org/10.1021/ci049714+openalex-snapshot
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
inferredcites →https://doi.org/10.1021/ci0498719openalex-snapshot
Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance
inferredcites →https://doi.org/10.1021/ci100023sopenalex-snapshot
Are There Differences between Launched Drugs, Clinical Candidates, and Commercially Available Compounds?
inferredcites →https://doi.org/10.1021/ci600343xopenalex-snapshot
ADME Evaluation in Drug Discovery. 7. Prediction of Oral Absorption by Correlation and Classification
inferredcites →https://doi.org/10.1021/ci7002076openalex-snapshot
ADME Evaluation in Drug Discovery. 8. The Prediction of Human Intestinal Absorption by a Support Vector Machine
inferredcites →https://doi.org/10.1021/ci700286xopenalex-snapshot
Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries
inferredcites →https://doi.org/10.1021/ci900229copenalex-snapshot
Do Biologically Relevant Compounds Have More Chance To Be Drugs?
inferredcites →https://doi.org/10.1021/ja401184gopenalex-snapshot
Stochastic Voyages into Uncharted Chemical Space Produce a Representative Library of All Possible Drug-Like Compounds
inferredcites →https://doi.org/10.1021/ja902302hopenalex-snapshot
970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13
inferredcites →https://doi.org/10.1021/jm020155copenalex-snapshot
Do Structurally Similar Molecules Have Similar Biological Activity?
inferredcites →https://doi.org/10.1021/jm021053popenalex-snapshot
A Comparison of Physiochemical Property Profiles of Development and Marketed Oral Drugs
inferredcites →https://doi.org/10.1021/jm040804fopenalex-snapshot
PDBLIG: Classification of Small Molecular Protein Binding in the Protein Data Bank
inferredcites →https://doi.org/10.1021/jm049717dopenalex-snapshot
Time-Related Differences in the Physical Property Profiles of Oral Drugs
inferredcites →https://doi.org/10.1021/jm0512185openalex-snapshot
The Influence of Target Family and Functional Activity on the Physicochemical Properties of Pre-Clinical Compounds
inferredcites →https://doi.org/10.1021/jm0704090openalex-snapshot
Natural Products as Leads to Potential Drugs: An Old Process or the New Hope for Drug Discovery?
inferredcites →https://doi.org/10.1023/a:1008130001697openalex-snapshot
Property distribution of drug-related chemical databases*
inferredcites →https://doi.org/10.1023/a:1020868022748openalex-snapshot
Chemoinformatics methods for systematic comparison of molecules from natural and synthetic sources and design of hybrid libraries
inferredcites →https://doi.org/10.1023/b:stco.0000035301.49549.88openalex-snapshot
A tutorial on support vector regression
inferredcites →https://doi.org/10.1038/nchembio.180openalex-snapshot
Quantifying biogenic bias in screening libraries
inferredcites →https://doi.org/10.1038/nchembio.479openalex-snapshot
Grand Challenge Commentary: Accessing new chemical space for 'undruggable' targets
inferredcites →https://doi.org/10.1038/nchembio0807-442openalex-snapshot
Scaffold composition and biological relevance of screening libraries
inferredcites →https://doi.org/10.1038/nrd2445openalex-snapshot
The influence of drug-like concepts on decision-making in medicinal chemistry
inferredcites →https://doi.org/10.1038/nrd2796openalex-snapshot
The influence of lead discovery strategies on the properties of drug candidates
inferredcites →https://doi.org/10.1038/nrd3078openalex-snapshot
How to improve R&D productivity: the pharmaceutical industry's grand challenge
inferredcites →https://doi.org/10.1039/c1np00033kopenalex-snapshot
Natural products and Pharma 2011: Strategic changes spur new opportunities
inferredcites →https://doi.org/10.1073/pnas.0503647102openalex-snapshot
Charting biologically relevant chemical space: A structural classification of natural products (SCONP)
inferredcites →https://doi.org/10.1093/nar/gkh063openalex-snapshot
The KEGG resource for deciphering the genome
inferredcites →https://doi.org/10.1093/nar/gkj102openalex-snapshot
From genomics to chemical genomics: new developments in KEGG
inferredcites →https://doi.org/10.1093/nar/gkq1126openalex-snapshot
DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1103/physrevlett.91.138701openalex-snapshot
Preferential Attachment in the Protein Network Evolution
inferredcites →https://doi.org/10.1109/72.788640openalex-snapshot
An overview of statistical learning theory
inferredcites →https://doi.org/10.1126/science.1116364openalex-snapshot
The Renaissance of Natural Products as Drug Candidates
inferredcites →https://doi.org/10.1128/mbio.00301-10openalex-snapshot
Essential Metabolites of Mycobacterium tuberculosis and Their Mimics
inferredcites →https://doi.org/10.1186/1471-2105-13-106openalex-snapshot
Natural product-likeness score revisited: an open-source, open-data implementation
inferredcites →https://doi.org/10.1186/1758-2946-3-33openalex-snapshot
Open Babel: An open chemical toolbox
inferredcites →https://doi.org/10.1186/gb-2007-8-8-r176openalex-snapshot
Distribution patterns of small-molecule ligands in the protein universe and implications for origin of life and drug discovery
inferredcites →https://doi.org/10.1371/journal.pone.0028966openalex-snapshot
Understanding and Classifying Metabolite Space and Metabolite-Likeness
inferredcites →https://doi.org/10.1517/17460441.1.2.99openalex-snapshot
Why has R&D productivity declined in the pharmaceutical industry?
inferredcites →https://doi.org/10.2174/1386207043328409openalex-snapshot
Quality, not Quantity: The Role of Natural Products and Chemical Proteomics in Modern Drug Discovery
inferredcites →https://doi.org/10.2174/138945011798109482openalex-snapshot
Exploring and Exploiting Biologically Relevant Chemical Space
inferredcites →https://doi.org/10.2174/187231307779814066openalex-snapshot
Properties and Architecture of Drugs and Natural Products Revisited
inferredcites →https://doi.org/10.2307/2555769openalex-snapshot
Do Important Drugs Reach the Market Sooner?
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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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
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Development and Testing of Druglike Screening Libraries
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Populating Chemical Space with Peptides Using a Genetic Algorithm
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Appendage and Scaffold Diverse Fully Functionalized Small-Molecule Probes via a Minimalist Terminal Alkyne-Aliphatic Diazirine Isocyanide
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Synthesis of Aza-acyclic Nucleoside Libraries of Purine, Pyrimidine, and 1,2,4-Triazole
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inferred← citeshttps://doi.org/10.1038/srep24817openalex-snapshot
Constructing and Validating High-Performance MIEC-SVM Models in Virtual Screening for Kinases: A Better Way for Actives Discovery
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Predicting Subtype Selectivity for Adenosine Receptor Ligands with Three-Dimensional Biologically Relevant Spectrum (BRS-3D)
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Dereplication: racing to speed up the natural products discovery process
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