Prediction of Biological Targets for Compounds Using Multiple-Category Bayesian Models Trained on Chemogenomics Databases

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PASS: prediction of activity spectra for biologically active substances

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A synthetic inhibitor of histone deacetylase, MS-27-275, with marked in vivo antitumor activity against human tumors

1999 • 686 citations

“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening

1999 • 650 citations

Histone acetylases and deacetylases in cell proliferation

1999 • 598 citations

Lysophospholipids--Receptor Revelations

2001 • 539 citations

Aliskiren, a Novel Orally Effective Renin Inhibitor, Provides Dose-Dependent Antihypertensive Efficacy and Placebo-Like Tolerability in Hypertensive Patients

2005 • 522 citations

Exploring biology with small organic molecules

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2000 • 417 citations

Chemogenomics: an emerging strategy for rapid target and drug discovery

2004 • 343 citations

Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures

2004 • 315 citations

Using Extended-Connectivity Fingerprints with Laplacian-Modified Bayesian Analysis in High-Throughput Screening Follow-Up

2005 • 284 citations

Biologic Therapy for Inflammatory Bowel Disease

2005 • 272 citations

Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

2004 • 261 citations

Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins

2002 • 254 citations

Trichostatin A - like Hydroxamate Histone Deacetylase Inhibitors as Therapeutic Agents: Toxicological Point of View

2004 • 249 citations

Cascade Reactions in Quantitative Solid-State Syntheses

1999 • 135 citations

A 3D Similarity Method for Scaffold Hopping from Known Drugs or Natural Ligands to New Chemotypes

2004 • 129 citations

Histone Deacetylase: A Target for Antiproliferative and Antiprotozoal Agents

2001 • 106 citations

Enrichment of High-Throughput Screening Data with Increasing Levels of Noise Using Support Vector Machines, Recursive Partitioning, and Laplacian-Modified Naive Bayesian Classifiers

2005 • 103 citations

Enrichment of Extremely Noisy High-Throughput Screening Data Using a Naïve Bayes Classifier

2004 • 83 citations

Tachykinin NK2 receptor antagonists for the treatment of irritable bowel syndrome

2004 • 77 citations

Chemical Genomic Profiling of Biological Networks Using Graph Theory and Combinations of Small Molecule Perturbations

2003 • 60 citations

Top 200 Medicines: Can New Actions be Discovered Through Computer-aided Prediction?

2001 • 54 citations

Molecular Surface Point Environments for Virtual Screening and the Elucidation of Binding Patterns (MOLPRINT 3D)

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Finding Multiactivity Substructures by Mining Databases of Drug-Like Compounds

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Post-High-Throughput Screening Analysis: An Empirical Compound Prioritization Scheme

2005 • 24 citations

Neutral endopeptidase (EC 3.4.24.11) downregulates the onset of intestinal inflammation in the nematode infected mouse

2003 • 23 citations

The selective cyclooxygenase-2 inhibitor celecoxib modulates the formation of vasoconstrictor eicosanoids and activates PPARγ. Influence of albumin

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Trichostatin D, a New Inducer of Phenotypic Reversion in Transformed Cells.

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Metamizol acts as an ATP sensitive potassium channel opener to inhibit the contracting response induced by angiotensin II but not to norepinephrine in rat thoracic aorta smooth muscle

2005 • 12 citations