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Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations

https://doi.org/10.1021/ci9002816
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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/bf00124324openalex-snapshot
A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
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/10.1007/bf01590992openalex-snapshot
Constrained search of conformational hyperspace
inferredcites →https://doi.org/10.1007/s10822-004-5523-7openalex-snapshot
Generation of multiple pharmacophore hypotheses using multiobjective optimisation techniques
inferredcites →https://doi.org/10.1007/s10822-006-9082-yopenalex-snapshot
GALAHAD: 1. Pharmacophore identification by hypermolecular alignment of ligands in 3D
inferredcites →https://doi.org/10.1007/s10822-006-9086-7openalex-snapshot
Incorporating partial matches within multiobjective pharmacophore identification
inferredcites →https://doi.org/10.1007/s10822-006-9087-6openalex-snapshot
PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
inferredcites →https://doi.org/10.1016/j.drudis.2007.09.007openalex-snapshot
Molecule-pharmacophore superpositioning and pattern matching in computational drug design
inferredcites →https://doi.org/10.1016/s1093-3263(97)00089-2openalex-snapshot
Clique-Detection Algorithms for Matching Three-Dimensional Molecular Structures
inferredcites →https://doi.org/10.1021/ci049780bopenalex-snapshot
Retrieval of Crystallographically-Derived Molecular Geometry Information
inferredcites →https://doi.org/10.1021/ci049885eopenalex-snapshot
LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters
inferredcites →https://doi.org/10.1021/ci0502193openalex-snapshot
The Effects of Biasing Torsional Mutations in a Conformational GA
inferredcites →https://doi.org/10.1021/ci050347ropenalex-snapshot
Scaffold Hopping Using Clique Detection Applied to Reduced Graphs
inferredcites →https://doi.org/10.1021/ci050427vopenalex-snapshot
PharmID: Pharmacophore Identification Using Gibbs Sampling
inferredcites →https://doi.org/10.1021/ci060042sopenalex-snapshot
MIMUMBA Revisited: Torsion Angle Rules for Conformer Generation Derived from X-ray Structures
inferredcites →https://doi.org/10.1021/ci8002254openalex-snapshot
Protein−Ligand Docking against Non-Native Protein Conformers
inferredcites →https://doi.org/10.1021/ci950273ropenalex-snapshot
Identification of Common Functional Configurations Among Molecules
inferredcites →https://doi.org/10.1021/jm0608356openalex-snapshot
Benchmarking Sets for Molecular Docking
inferredcites →https://doi.org/10.1021/jm061277yopenalex-snapshot
Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance
inferredcites →https://doi.org/10.1023/a:1021954728347openalex-snapshot
A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP
inferredcites →https://doi.org/10.1107/s0108767307035623openalex-snapshot
The Protein Data Bank: a historical perspective
inferredcites →https://doi.org/10.1107/s0108768102003890openalex-snapshot
The Cambridge Structural Database: a quarter of a million crystal structures and rising
inferredcites →https://doi.org/10.1107/s0567739476001873openalex-snapshot
A solution for the best rotation to relate two sets of vectors
inferredcites →https://doi.org/10.1108/ir.1999.04926fae.001openalex-snapshot
Lecture Notes in Computer Science 1205
inferredcites →https://doi.org/10.1109/tpwrs.2006.873120openalex-snapshot
An Initialization Procedure in Solving Optimal Power Flow by Genetic Algorithm
inferredcites →https://doi.org/10.1126/science.1095920openalex-snapshot
Protein Kinase Inhibitors: Insights into Drug Design from Structure
inferredcites →https://doi.org/10.1145/362342.362367openalex-snapshot
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What points at this work

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

inferred← citeshttps://doi.org/10.1002/chin.201013214openalex-snapshot
ChemInform Abstract: Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low‐Energy Conformations.
inferred← citeshttps://doi.org/10.1002/minf.201500004openalex-snapshot
Chemoinformatics at the University of Sheffield 2002–2014
inferred← citeshttps://doi.org/10.1002/wcms.1640openalex-snapshot
Small molecule superposition: A comprehensive overview on pose scoring of the latest methods
inferred← citeshttps://doi.org/10.1007/7653_2015_46openalex-snapshot
Pharmacophore Modeling: Methods and Applications
inferred← citeshttps://doi.org/10.1007/s10822-012-9573-yopenalex-snapshot
Development and validation of an improved algorithm for overlaying flexible molecules
inferred← citeshttps://doi.org/10.1007/s10822-017-0023-8openalex-snapshot
MolAlign: an algorithm for aligning multiple small molecules
inferred← citeshttps://doi.org/10.1021/acs.chemrev.9b00155openalex-snapshot
A Million Crystal Structures: The Whole Is Greater than the Sum of Its Parts
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00757openalex-snapshot
Conservation and Relevance of Pharmacophore Point Types
inferred← citeshttps://doi.org/10.1021/ci1000218openalex-snapshot
pharmACOphore: Multiple Flexible Ligand Alignment Based on Ant Colony Optimization
inferred← citeshttps://doi.org/10.1021/ci100194kopenalex-snapshot
GAPE: An Improved Genetic Algorithm for Pharmacophore Elucidation
inferred← citeshttps://doi.org/10.1021/ci100227hopenalex-snapshot
Training a Scoring Function for the Alignment of Small Molecules
inferred← citeshttps://doi.org/10.1021/ci200442hopenalex-snapshot
Modeling Flexible Pharmacophores with Distance Geometry, Scoring, and Bound Stretching
inferred← citeshttps://doi.org/10.1021/ci300154nopenalex-snapshot
GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods
inferred← citeshttps://doi.org/10.1021/jp506555wopenalex-snapshot
Pharmacophore-Based Similarity Scoring for DOCK
inferred← citeshttps://doi.org/10.1039/9781849735377-00151openalex-snapshot
Pharmacophore Models in Drug Design
inferred← citeshttps://doi.org/10.1039/c2ce06588fopenalex-snapshot
Isostructurality in pharmaceutical salts: How often and how similar?
inferred← citeshttps://doi.org/10.1186/1758-2946-2-s1-p17openalex-snapshot
pharmACOphore: multiple flexible ligand alignment based on ant colony optimization
inferred← citeshttps://doi.org/10.1517/17460441.2011.588696openalex-snapshot
Strategies of multi-objective optimization in drug discovery and development
inferred← citeshttps://doi.org/10.4018/978-1-4666-3604-0.ch058openalex-snapshot
Graph Applications in Chemoinformatics and Structural Bioinformatics
inferred← citeshttps://doi.org/10.4018/978-1-61350-053-8.ch017openalex-snapshot
Graph Applications in Chemoinformatics and Structural Bioinformatics
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