| Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy | 2004/02/27 | English | 6,389 |
| Molecular Properties That Influence the Oral Bioavailability of Drug Candidates | 2002/05/11 | English | 4,815 |
| Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes | 2006/09/23 | English | 4,655 |
| Analysis of the Structural Diversity, Substitution Patterns, and Frequency of Nitrogen Heterocycles among U.S. FDA Approved Pharmaceuticals | 2014/10/07 | English | 3,985 |
| Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening | 2004/02/27 | English | 3,429 |
| The Many Roles for Fluorine in Medicinal Chemistry | 2008/06/21 | English | 2,915 |
| Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success | 2009/10/14 | English | 2,628 |
| New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays | 2010/04/08 | English | 2,600 |
| Applications of Fluorine in Medicinal Chemistry | 2015/07/22 | English | 2,434 |
| pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures | 2015/04/22 | English | 2,229 |
| Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design | 2011/03/17 | English | 2,124 |
| Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties | 2000/09/19 | English | 2,101 |
| The Medicinal Chemist’s Toolbox: An Analysis of Reactions Used in the Pursuit of Drug Candidates | 2011/05/02 | English | 1,930 |
| A computational procedure for determining energetically favorable binding sites on biologically important macromolecules | 1985/07/01 | English | 1,735 |
| Rings in Drugs | 2014/02/17 | English | 1,705 |
| MolDock: A New Technique for High-Accuracy Molecular Docking | 2006/04/29 | English | 1,591 |
| Synthesis and Biological Evaluation of the 1,5-Diarylpyrazole Class of Cyclooxygenase-2 Inhibitors: Identification of 4-[5-(4-Methylphenyl)-3- (trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide (SC-58635, Celecoxib) | 1997/04/01 | English | 1,588 |
| Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design | 2018/02/05 | English | 1,534 |
| Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects | 2005/12/23 | English | 1,436 |
| The Properties of Known Drugs. 1. Molecular Frameworks | 1996/01/01 | English | 1,367 |
| Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity | 1994/11/01 | English | 1,360 |
| Organometallic Anticancer Compounds | 2010/11/15 | English | 1,358 |
| The PPARs: From Orphan Receptors to Drug Discovery | 2000/02/01 | English | 1,344 |
| Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking | 2012/07/05 | English | 1,294 |
| Nitrile-Containing Pharmaceuticals: Efficacious Roles of the Nitrile Pharmacophore | 2010/08/30 | English | 1,251 |
| The Essential Medicinal Chemistry of Curcumin | 2017/01/11 | English | 1,166 |
| Analysis of Past and Present Synthetic Methodologies on Medicinal Chemistry: Where Have All the New Reactions Gone? | 2015/12/01 | English | 1,144 |
| A Critical Assessment of Docking Programs and Scoring Functions | 2005/08/13 | English | 1,127 |
| QSAR Modeling: Where Have You Been? Where Are You Going To? | 2014/01/06 | English | 1,116 |
| A Medicinal Chemist’s Guide to Molecular Interactions | 2010/03/26 | English | 1,108 |