Oncology exploration: charting cancer medicinal chemistry space

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

2001 • 16,438 citations

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

1997 • 9,861 citations

ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

2004 • 3,660 citations

Drug-like properties and the causes of poor solubility and poor permeability

2000 • 3,405 citations

A Transmembrane Intracellular Estrogen Receptor Mediates Rapid Cell Signaling

2005 • 2,191 citations

Mechanism of Action of Antitumor Drugs that Interact with Microtubules and Tubulin

2005 • 749 citations

A User's Guide to Principal Components

1992 • 693 citations

Structure-based virtual screening: an overview

2002 • 627 citations

Property distribution of drug-related chemical databases.

2000 • 594 citations

Hitchhiker's Guide to the Galaxy

1979 • 543 citations

Pursuing the leadlikeness concept in pharmaceutical research

2004 • 500 citations

Intercalators as Anticancer Drugs

2001 • 427 citations

The Search of DNA-Intercalators as Antitumoral Drugs: What it Worked and What did not Work

2005 • 422 citations

A New Atom-Additive Method for Calculating Partition Coefficients

1997 • 413 citations

Prediction of ‘drug-likeness’

2002 • 406 citations

Cancer gene discovery in solid tumours using transposon-based somatic mutagenesis in the mouse

2005 • 404 citations

Catalytic topoisomerase II inhibitors in cancer therapy

2003 • 383 citations

Imatinib as a Paradigm of Targeted Therapies

2004 • 366 citations

Chemography: The Art of Navigating in Chemical Space

2001 • 344 citations

Anticancer Antifolates: Current Status and Future Directions

2003 • 298 citations

Androgen receptor as a target in androgen-independent prostate cancer

2002 • 265 citations

Chemoinformatics in Drug Discovery

2005 • 264 citations

Current trends in lead discovery: are we looking for the appropriate properties?

2002 • 192 citations

Recent Development and Application of Virtual Screening in Drug Discovery: An Overview

2004 • 174 citations

Kinomics: characterizing the therapeutically validated kinase space

2005 • 158 citations

The Prodrugs of 5-Fluorouracil

2002 • 115 citations

The in silico world of virtual libraries

2000 • 109 citations

Advances in the Science of Estrogen Receptor Modulation

2003 • 101 citations

Chemoinformatics in drug discovery

2005 • 96 citations

Molecular recognition: the fragment approach in lead generation

2004 • 78 citations

(Research Papers) Design of a Compound Screening Collection for use in High Throughput Screening

2004 • 72 citations

Strategies for Compound Selection

2004 • 71 citations

Focused Combinatorial Library Design Based on Structural Diversity, Druglikeness and Binding Affinity Score

2005 • 71 citations

Recent Anticancer Cytotoxic Agents

2004 • 65 citations

Toward Designing Drug-Like Libraries: A Novel Computational Approach for Prediction of Drug Feasibility of Compounds

1999 • 56 citations

Aromatase Inhibitors: A New Paradigm in Breast Cancer Treatment

2004 • 52 citations

Bioinformatics and cancer target discovery

2004 • 46 citations

Benzoxepin-Derived Estrogen Receptor Modulators: A Novel Molecular Scaffold for the Estrogen Receptor

2004 • 44 citations

Virtual screening: a real screening complement to high-throughput screening

2002 • 38 citations

Cytotoxic activity of 6-alkynyl- and 6-alkenylpurines

2003 • 36 citations

Aromatase inhibitors for therapy of advanced breast cancer

2005 • 32 citations

Mapping Chemical Space Using Molecular Descriptors and Chemical Genetics: Deacetylase Inhibitors

2004 • 30 citations

Rational Approaches to the Design of Therapeutics Targeting Molecular Markers: The Case of Chronic Myelogenous Leukemia

2004 • 29 citations

Pharmacology of antiandrogens and valueof combining androgen suppression with antiandrogen therapy

1991 • 27 citations

Identification of cancer genes by mutational profiling of tumor genomes

2005 • 26 citations

Development of novel alkylating drugs as anticancer agents.

2004 • 23 citations

Design and Synthesis of Protein Superfamily-Targeted Chemical Libraries for Lead Identification and Optimization

2005 • 22 citations

Development of Molecular Targeted Anticancer Agents: Successes, Failures and Future Directions

2005 • 21 citations

Exploiting Novel Cell Cycle Targets in the Development of Anticancer Agents

2005 • 21 citations

Proteasome inhibition as a therapeutic strategy for hematologic malignancies

2005 • 16 citations

Molecular therapeutic approaches to acute myeloid leukemia: targeting aberrant chromatin dynamics and signal transduction

2004 • 6 citations