# | Title | Journal | Year | Citations |
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1 | Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy | Journal of Medicinal Chemistry | 2004 | 7,428 |
2 | Molecular Properties That Influence the Oral Bioavailability of Drug Candidates | Journal of Medicinal Chemistry | 2002 | 5,626 |
3 | Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes | Journal of Medicinal Chemistry | 2006 | 5,196 |
4 | Analysis of the Structural Diversity, Substitution Patterns, and Frequency of Nitrogen Heterocycles among U.S. FDA Approved Pharmaceuticals | Journal of Medicinal Chemistry | 2014 | 3,996 |
5 | Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening | Journal of Medicinal Chemistry | 2004 | 3,982 |
6 | The Many Roles for Fluorine in Medicinal Chemistry | Journal of Medicinal Chemistry | 2008 | 2,993 |
7 | New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays | Journal of Medicinal Chemistry | 2010 | 2,982 |
8 | Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success | Journal of Medicinal Chemistry | 2009 | 2,807 |
9 | A computational procedure for determining energetically favorable binding sites on biologically important macromolecules | Journal of Medicinal Chemistry | 1985 | 2,586 |
10 | Applications of Fluorine in Medicinal Chemistry | Journal of Medicinal Chemistry | 2015 | 2,464 |
11 | Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties | Journal of Medicinal Chemistry | 2000 | 2,413 |
12 | pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures | Journal of Medicinal Chemistry | 2015 | 2,335 |
13 | Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design | Journal of Medicinal Chemistry | 2011 | 2,216 |
14 | The Medicinal Chemist’s Toolbox: An Analysis of Reactions Used in the Pursuit of Drug Candidates | Journal of Medicinal Chemistry | 2011 | 1,969 |
15 | MolDock: A New Technique for High-Accuracy Molecular Docking | Journal of Medicinal Chemistry | 2006 | 1,879 |
16 | 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) | Journal of Medicinal Chemistry | 1997 | 1,852 |
17 | The Properties of Known Drugs. 1. Molecular Frameworks | Journal of Medicinal Chemistry | 1996 | 1,757 |
18 | Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity | Journal of Medicinal Chemistry | 1994 | 1,736 |
19 | Rings in Drugs | Journal of Medicinal Chemistry | 2014 | 1,733 |
20 | The PPARs: From Orphan Receptors to Drug Discovery | Journal of Medicinal Chemistry | 2000 | 1,706 |
21 | Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects | Journal of Medicinal Chemistry | 2006 | 1,671 |
22 | Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking | Journal of Medicinal Chemistry | 2012 | 1,574 |
23 | Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design | Journal of Medicinal Chemistry | 2018 | 1,524 |
24 | A Critical Assessment of Docking Programs and Scoring Functions | Journal of Medicinal Chemistry | 2006 | 1,429 |
25 | Organometallic Anticancer Compounds | Journal of Medicinal Chemistry | 2011 | 1,408 |
26 | QSAR Modeling: Where Have You Been? Where Are You Going To? | Journal of Medicinal Chemistry | 2014 | 1,401 |
27 | Methods for drug discovery: development of potent, selective, orally effective cholecystokinin antagonists | Journal of Medicinal Chemistry | 1988 | 1,382 |
28 | The Essential Medicinal Chemistry of Curcumin | Journal of Medicinal Chemistry | 2017 | 1,291 |
29 | Nitrile-Containing Pharmaceuticals: Efficacious Roles of the Nitrile Pharmacophore | Journal of Medicinal Chemistry | 2010 | 1,279 |
30 | A Medicinal Chemist’s Guide to Molecular Interactions | Journal of Medicinal Chemistry | 2010 | 1,259 |
31 | Prediction of Drug Absorption Using Multivariate Statistics | Journal of Medicinal Chemistry | 2000 | 1,254 |
32 | Aromatic substituent constants for structure-activity correlations | Journal of Medicinal Chemistry | 1973 | 1,248 |
33 | Surflex: Fully Automatic Flexible Molecular Docking Using a Molecular Similarity-Based Search Engine | Journal of Medicinal Chemistry | 2003 | 1,234 |
34 | Discovery ofN-(2-Chloro-6-methyl- phenyl)-2-(6-(4-(2-hydroxyethyl)- piperazin-1-yl)-2-methylpyrimidin-4- ylamino)thiazole-5-carboxamide (BMS-354825), a Dual Src/Abl Kinase Inhibitor with Potent Antitumor Activity in Preclinical Assays | Journal of Medicinal Chemistry | 2004 | 1,196 |
35 | Analysis of Past and Present Synthetic Methodologies on Medicinal Chemistry: Where Have All the New Reactions Gone? | Journal of Medicinal Chemistry | 2016 | 1,187 |
36 | Benchmarking Sets for Molecular Docking | Journal of Medicinal Chemistry | 2006 | 1,184 |
37 | Physicochemical High Throughput Screening: Parallel Artificial Membrane Permeation Assay in the Description of Passive Absorption Processes | Journal of Medicinal Chemistry | 1998 | 1,160 |
38 | Applications of Combinatorial Technologies to Drug Discovery. 1. Background and Peptide Combinatorial Libraries | Journal of Medicinal Chemistry | 1994 | 1,146 |
39 | Applications of Combinatorial Technologies to Drug Discovery. 2. Combinatorial Organic Synthesis, Library Screening Strategies, and Future Directions | Journal of Medicinal Chemistry | 1994 | 1,107 |
40 | Data-Mining for Sulfur and Fluorine: An Evaluation of Pharmaceuticals To Reveal Opportunities for Drug Design and Discovery | Journal of Medicinal Chemistry | 2014 | 1,080 |
41 | Designed Multiple Ligands. An Emerging Drug Discovery Paradigm | Journal of Medicinal Chemistry | 2005 | 1,070 |
42 | A General and Fast Scoring Function for Protein−Ligand Interactions: A Simplified Potential Approach | Journal of Medicinal Chemistry | 1999 | 1,038 |
43 | A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening | Journal of Medicinal Chemistry | 2002 | 1,013 |
44 | Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology | Journal of Medicinal Chemistry | 2013 | 1,002 |
45 | Current Clinical and Preclinical Photosensitizers for Use in Photodynamic Therapy | Journal of Medicinal Chemistry | 2004 | 981 |
46 | Multi-target-Directed Ligands To Combat Neurodegenerative Diseases | Journal of Medicinal Chemistry | 2008 | 961 |
47 | Structural Basis for Inhibition of the Hsp90 Molecular Chaperone by the Antitumor Antibiotics Radicicol and Geldanamycin | Journal of Medicinal Chemistry | 1999 | 948 |
48 | Synthesis and Evaluation of 11C-Labeled 6-Substituted 2-Arylbenzothiazoles as Amyloid Imaging Agents | Journal of Medicinal Chemistry | 2003 | 921 |
49 | Structures of Human Acetylcholinesterase in Complex with Pharmacologically Important Ligands | Journal of Medicinal Chemistry | 2012 | 915 |
50 | A Mathematical Contribution to Structure-Activity Studies | Journal of Medicinal Chemistry | 1964 | 897 |