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Prospective Exploration of Synthetically Feasible, Medicinally Relevant Chemical Space
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9783906390406openalex-snapshot
Computer‐Assisted Lead Finding and Optimization
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Prediction of Acute Mammalian Toxicity from Molecular Structure for a Diverse Set of Substituted Anilines Using Regression Analysis and Computational Neural Networks
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SPROUT, HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility
inferredcites →https://doi.org/10.1016/0300-9084(96)89514-9openalex-snapshot
The logic of chemical synthesis
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/s0960-894x(00)00270-5openalex-snapshot
Discovery of a new class of p38 kinase inhibitors
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Application of the PharmPrint Methodology to Two Protein Kinases
inferredcites →https://doi.org/10.1021/ci980029aopenalex-snapshot
Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure
inferredcites →https://doi.org/10.1021/ci980159jopenalex-snapshot
Pharmacophore Fingerprinting. 1. Application to QSAR and Focused Library Design
inferredcites →https://doi.org/10.1021/ci990313hopenalex-snapshot
Pharmacophore Fingerprinting. 2. Application to Primary Library Design
inferredcites →https://doi.org/10.1021/ci990433popenalex-snapshot
Simulation of Organic Reactions: From the Degradation of Chemicals to Combinatorial Synthesis
inferredcites →https://doi.org/10.1021/jm020057ropenalex-snapshot
Pyrazole Urea-Based Inhibitors of p38 MAP Kinase: From Lead Compound to Clinical Candidate
inferredcites →https://doi.org/10.1038/nsb770openalex-snapshot
Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site
inferredcites →https://doi.org/10.1126/science.166.3902.192openalex-snapshot
The Siege of the House of Reason
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Chemogenomics‐Based Design of GPCR‐Targeted Libraries Using Data Mining Techniques
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Role of Natural Products in Drug Discovery
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Virtual Screening of Chemical Space: From Generic Compound Collections to Tailored Screening Libraries
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Exploring Virtual Scaffold Spaces
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Reaction‐Driven De Novo Design: a Keystone for Automated Design of Target Family‐Oriented Libraries
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MultiobjectiveDe NovoDesign of Synthetically Accessible Compounds
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Fragment‐Based Design of Focused Compound Libraries
inferred← citeshttps://doi.org/10.1002/chin.200522214openalex-snapshot
Prospective Exploration of Synthetically Feasible, Medicinally Relevant Chemical Space.
inferred← citeshttps://doi.org/10.1002/chin.201250271openalex-snapshot
ChemInform Abstract: Validation of Reaction Vectors for de novo Design
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Design of Inhibitors of the Human Fibroblast Activation Protein α as a Strategy to Hinder Metastasis and Angiogenesis
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Open Source Chemoinformatics Software including KNIME Analytics
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Open-Source Chemoinformatics Software
inferred← citeshttps://doi.org/10.1007/978-94-007-6169-8_57-2openalex-snapshot
Open Source Chemoinformatics Software including KNIME Analytics Platform
inferred← citeshttps://doi.org/10.1016/b978-0-443-29808-0.00082-0openalex-snapshot
Generative chemistry in practice: Data-, synthesis-, and pocket- aware workflows for drug design
inferred← citeshttps://doi.org/10.1016/b978-008045382-8.00058-7openalex-snapshot
Natural Products as Lead Sources for Drug Development
inferred← citeshttps://doi.org/10.1016/j.ddtec.2006.12.006openalex-snapshot
Focused chemistry from annotated libraries
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Very large virtual compound spaces: construction, storage and utility in drug discovery
inferred← citeshttps://doi.org/10.1016/j.jmgm.2024.108734openalex-snapshot
Target-specific novel molecules with their recipe: Incorporating synthesizability in the design process
inferred← citeshttps://doi.org/10.1021/ac800464gopenalex-snapshot
Natural Organic Matter and the Event Horizon of Mass Spectrometry
inferred← citeshttps://doi.org/10.1021/acscentsci.6b00219openalex-snapshot
Neural Networks for the Prediction of Organic Chemistry Reactions
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Validation of Reaction Vectors forde NovoDesign
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Chemoinformatics: Past, Present, and Future†
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Search for Complexity Generating Chemical Transformations by Combining Connectivity Analysis and Cascade Transformation Patterns
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A Collection of Robust Organic Synthesis Reactions for In Silico Molecule Design
inferred← citeshttps://doi.org/10.1021/ci700244topenalex-snapshot
A Pharmacophore Map of Small Molecule Protein Kinase Inhibitors
inferred← citeshttps://doi.org/10.1021/ci800272aopenalex-snapshot
Searching Fragment Spaces with Feature Trees
inferred← citeshttps://doi.org/10.1021/ci800413mopenalex-snapshot
Knowledge-Based Approach to de Novo Design Using Reaction Vectors
inferred← citeshttps://doi.org/10.1038/s41597-020-00727-4openalex-snapshot
SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules
inferred← citeshttps://doi.org/10.1186/s13321-014-0048-0openalex-snapshot
Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process
inferred← citeshttps://doi.org/10.1186/s13321-020-00429-4openalex-snapshot
AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization
inferred← citeshttps://doi.org/10.26434/chemrxiv.12185559openalex-snapshot
Synthetically Accessible Virtual Inventory (SAVI)
inferred← citeshttps://doi.org/10.26434/chemrxiv.12185559.v1openalex-snapshot
Synthetically Accessible Virtual Inventory (SAVI)
inferred← citeshttps://doi.org/10.3390/data3020014openalex-snapshot
RetroTransformDB: A Dataset of Generic Transforms for Retrosynthetic Analysis
inferred← citeshttps://doi.org/10.4155/fmc.10.277openalex-snapshot
Computational Medicinal Chemistry in Fragment-Based Drug Discovery: What, How and When
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