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A Fast Algorithm for Searching for Molecules Containing a Pharmacophore in Very Large Virtual Combinatorial Libraries

https://doi.org/10.1021/ci000463o
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/9780470125885openalex-snapshot
Reviews in Computational Chemistry
inferredcites →https://doi.org/10.1002/9780470125885.ch2openalex-snapshot
Current Issues in De Novo Molecular Design
inferredcites →https://doi.org/10.1002/bip.360310619openalex-snapshot
Backbone cyclization: A new method for conferring conformational constraint on peptides
inferredcites →https://doi.org/10.1007/978-1-4615-4141-7openalex-snapshot
Molecular Modeling and Prediction of Bioactivity
inferredcites →https://doi.org/10.1007/bf00141577openalex-snapshot
A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists
inferredcites →https://doi.org/10.1016/0022-2836(87)90358-5openalex-snapshot
Tertiary templates for proteins
inferredcites →https://doi.org/10.1016/s0958-1669(98)80093-1openalex-snapshot
Generating and analyzing combinatorial chemistry libraries
inferredcites →https://doi.org/10.1016/s1359-0278(98)00051-0openalex-snapshot
Empirical modifications to the Amber/OPLS potential for predicting the solution conformations of cyclic peptides by vacuum calculations
inferredcites →https://doi.org/10.1016/s1359-6446(97)01163-xopenalex-snapshot
Virtual screening—an overview
inferredcites →https://doi.org/10.1016/s1367-5931(99)80057-xopenalex-snapshot
Chemoinformatics — a new name for an old problem?
inferredcites →https://doi.org/10.1021/cc9800071openalex-snapshot
A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery. 1. A Qualitative and Quantitative Characterization of Known Drug Databases
inferredcites →https://doi.org/10.1021/ci9502055openalex-snapshot
MOLMAKER: De Novo Generation of 3D Databases for Use in Drug Design
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/ja00050a020openalex-snapshot
Syntheses of racemic and both chiral forms of cyclopropane-1,2-d2 and cyclopropane-1-13C-1,2,3-d3
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/jm960291fopenalex-snapshot
Bioisosterism as a Molecular Diversity Descriptor: Steric Fields of Single “Topomeric” Conformers
inferredcites →https://doi.org/10.1126/science.287.5460.1947openalex-snapshot
Integrating Combinatorial Synthesis and Bioassays

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/9783527633326.ch3openalex-snapshot
Ligand‐Based Virtual Screening
inferred← citeshttps://doi.org/10.1002/9783527648207.ch5openalex-snapshot
Interactive Technologies for Leveraging the Known Chemistry of Anchor Residues to Disrupt Protein Interactions
inferred← citeshttps://doi.org/10.1002/bio.1318openalex-snapshot
An intelligent approach to the discovery of luminescent materials using a combinatorial approach combined with Taguchi methodology
inferred← citeshttps://doi.org/10.1002/chin.200138239openalex-snapshot
ChemInform Abstract: A Fast Algorithm for Searching for Molecules Containing a Pharmacophore in Very Large Virtual Combinatorial Libraries.
inferred← citeshttps://doi.org/10.1016/s0079-6468(02)41002-8openalex-snapshot
Virtual Screening of Virtual Libraries
inferred← citeshttps://doi.org/10.1016/s1367-5931(02)00329-0openalex-snapshot
Chemical space navigation in lead discovery
inferred← citeshttps://doi.org/10.1016/s1367-5931(02)00339-3openalex-snapshot
Lead discovery using molecular docking
inferred← citeshttps://doi.org/10.1016/s1478-5382(03)02359-xopenalex-snapshot
Virtual high-throughput in silico screening
inferred← citeshttps://doi.org/10.1021/cc100063xopenalex-snapshot
Combinatorial Approach to the Development of a Single Mass YVO4:Bi3+,Eu3+ Phosphor with Red and Green Dual Colors for High Color Rendering White Light-Emitting Diodes
inferred← citeshttps://doi.org/10.1021/ci049657kopenalex-snapshot
Unsupervised 3D Ring Template Searching as an Ideas Generator for Scaffold Hopping: Use of the LAMDA, RigFit, and Field-Based Similarity Search (FBSS) Methods
inferred← citeshttps://doi.org/10.1021/ci200472sopenalex-snapshot
Improving Classical Substructure-Based Virtual Screening to Handle Extrapolation Challenges
inferred← citeshttps://doi.org/10.1021/ci500232gopenalex-snapshot
Atom Pair 2D-Fingerprints Perceive 3D-Molecular Shape and Pharmacophores for Very Fast Virtual Screening of ZINC and GDB-17
inferred← citeshttps://doi.org/10.1021/co300058xopenalex-snapshot
Optimization of the Single-Phased White Phosphor of Li 2 SrSiO 4 : Eu 2+ , Ce 3+ for Light-Emitting Diodes by Using the Combinatorial Approach Assisted with the Taguchi Method
inferred← citeshttps://doi.org/10.1038/nrd745openalex-snapshot
Chemical database techniques in drug discovery
inferred← citeshttps://doi.org/10.2174/1568026023394227openalex-snapshot
New Paradigms in Drug Design and Discovery
inferred← citeshttps://doi.org/10.30750/ijpbr.1.2.11openalex-snapshot
In-Silico Drug Design: A revolutionary approach to change the concept of current Drug Discovery Process
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