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Automated Recycling of Chemistry for Virtual Screening and Library Design
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1007/978-1-60761-931-4_13openalex-snapshot
LEAP into the Pfizer Global Virtual Library (PGVL) Space: Creation of Readily Synthesizable Design Ideas Automatically
inferredcites →https://doi.org/10.1007/s00706-006-0561-6openalex-snapshot
One-Pot Three-Component Synthesis of 3-Aminoimidazo[1,2-a]pyridines and -pyrazines in the Presence of Silica Sulfuric Acid
inferredcites →https://doi.org/10.1007/s10822-009-9264-5openalex-snapshot
Design of compound libraries for fragment screening
inferredcites →https://doi.org/10.1007/s10822-009-9297-9openalex-snapshot
Combinatorial library-based design with Basis Products
inferredcites →https://doi.org/10.1016/s1093-3263(00)00067-xopenalex-snapshot
Use of Markush structure analysis techniques for descriptor generation and clustering of large combinatorial libraries
inferredcites →https://doi.org/10.1021/cc900045topenalex-snapshot
Efficient Synthesis of Trisubstituted Pyrazoles and Isoxazoles Using a Traceless “Catch and Release” Solid-Phase Strategy
inferredcites →https://doi.org/10.1021/cc900081jopenalex-snapshot
Efficient Discovery of Selective Small Molecule Agonists of Estrogen-Related Receptor γ using Combinatorial Approach
inferredcites →https://doi.org/10.1021/cc900111uopenalex-snapshot
2-Substituted-4,5-Dihydroxypyrimidine-6-Carboxamide Antiviral Targeted Libraries
inferredcites →https://doi.org/10.1021/ci00023a009openalex-snapshot
Simulation Analysis of Experimental Design Strategies for Screening Random Compounds as Potential New Drugs and Agrochemicals
inferredcites →https://doi.org/10.1021/ci00057a005openalex-snapshot
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
inferredcites →https://doi.org/10.1021/ci200235eopenalex-snapshot
Anatomy of High-Performance 2D Similarity Calculations
inferredcites →https://doi.org/10.1021/ci600358fopenalex-snapshot
Bounds and Algorithms for Fast Exact Searches of Chemical Fingerprints in Linear and Sublinear Time
inferredcites →https://doi.org/10.1021/ci800272aopenalex-snapshot
Searching Fragment Spaces with Feature Trees
inferredcites →https://doi.org/10.1021/ci960091copenalex-snapshot
Techniques for Generating Descriptive Fingerprints in Combinatorial Libraries
inferredcites →https://doi.org/10.1021/ci970429iopenalex-snapshot
RECAPRetrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/ci9800209openalex-snapshot
Virtual Compound Libraries: A New Approach to Decision Making in Molecular Discovery Research
inferredcites →https://doi.org/10.1021/ci9803381openalex-snapshot
Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets
inferredcites →https://doi.org/10.1021/ja953868bopenalex-snapshot
Postcondensation Modifications of Ugi Four-Component Condensation Products: 1-Isocyanocyclohexene as a Convertible Isocyanide. Mechanism of Conversion, Synthesis of Diverse Structures, and Demonstration of Resin Capture
inferredcites →https://doi.org/10.1021/jm000003mopenalex-snapshot
Toward General Methods of Targeted Library Design: Topomer Shape Similarity Searching with Diverse Structures as Queries
inferredcites →https://doi.org/10.1021/jm200371qopenalex-snapshot
Progress in Structure Based Drug Design for G Protein-Coupled Receptors
inferredcites →https://doi.org/10.1021/jm980475popenalex-snapshot
Identification of Highly Selective Inhibitors of Collagenase-1 from Combinatorial Libraries of Diketopiperazines
inferredcites →https://doi.org/10.1021/jo900163wopenalex-snapshot
Efficient Three-Component Strecker Reaction of Aldehydes/Ketones via NHC-Amidate Palladium(II) Complex Catalysis
inferredcites →https://doi.org/10.1021/jo982192aopenalex-snapshot
Unique Structures Generated by Ugi 3CC Reactions Using Bifunctional Starting Materials Containing Aldehyde and Carboxylic Acid
inferredcites →https://doi.org/10.1023/a:1011144622059openalex-snapshot
Similarity searching in large combinatorial chemistry spaces
inferredcites →https://doi.org/10.1055/s-2006-947360openalex-snapshot
Facile Synthesis of Tetrahydroquinolines and Julolidines through Multicomponent Reaction
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527665143.ch05openalex-snapshot
Exploring Virtual Scaffold Spaces
inferred← citeshttps://doi.org/10.1002/9783527677016.ch10openalex-snapshot
Reaction‐Driven De Novo Design: a Keystone for Automated Design of Target Family‐Oriented Libraries
inferred← citeshttps://doi.org/10.1002/9783527677016.ch15openalex-snapshot
Fragment‐Based Design of Focused Compound Libraries
inferred← citeshttps://doi.org/10.1002/9783527840748.ch14openalex-snapshot
Enumerable Libraries and Accessible Chemical Space in Drug Discovery
inferred← citeshttps://doi.org/10.1002/jcc.26028openalex-snapshot
Feature vector clustering molecular pairs in computer simulations
inferred← citeshttps://doi.org/10.1007/s11095-013-1012-9openalex-snapshot
Emerging Topics in Structure-Based Virtual Screening
inferred← citeshttps://doi.org/10.1016/bs.apha.2025.01.006openalex-snapshot
Innovative computational approaches in drug discovery and design
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c00644openalex-snapshot
Virtual Screening in the Cloud Identifies Potent and Selective ROS1 Kinase Inhibitors
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00173openalex-snapshot
The Proximal Lilly Collection: Mapping, Exploring and Exploiting Feasible Chemical Space
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00648openalex-snapshot
Customizable Generation of Synthetically Accessible, Local Chemical Subspaces
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00779openalex-snapshot
Virtual Screening in the Cloud: How Big Is Big Enough?
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.8b00378openalex-snapshot
New Modalities, Technologies, and Partnerships in Probe and Lead Generation: Enabling a Mode-of-Action Centric Paradigm
inferred← citeshttps://doi.org/10.1021/ci4001019openalex-snapshot
Scaffold Hopping by Fragment Replacement
inferred← citeshttps://doi.org/10.1021/ci500150topenalex-snapshot
Blocked Inverted Indices for Exact Clustering of Large Chemical Spaces
inferred← citeshttps://doi.org/10.1186/1758-2946-4-23openalex-snapshot
Template-based combinatorial enumeration of virtual compound libraries for lipids
inferred← citeshttps://doi.org/10.2174/1568026614666140929124445openalex-snapshot
Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances
inferred← citeshttps://doi.org/10.3390/ijms23031620openalex-snapshot
Virtual Combinatorial Chemistry and Pharmacological Screening: A Short Guide to Drug Design
inferred← citeshttps://doi.org/10.4155/fmc-2016-0163openalex-snapshot
Does ‘Big Data’ Exist in Medicinal Chemistry, and If So, How can It Be Harnessed?
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