| 1 |
Colorimetry of Total Phenolics with Phosphomolybdic-Phosphotungstic Acid Reagents
Vernon L. Singleton, Joseph A. Rossi · American Journal of Enology and Viticulture
|
1965 |
24,756 |
| 2 |
Isolation of biologically active ribonucleic acid from sources enriched in ribonuclease
John M. Chirgwin, Alan Przybyla, Raymond J. MacDonald et al. · Biochemistry
|
Nov 1979 |
22,217 |
| 3 |
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
Antoine Daina, Olivier Alain Michielin, Vincent Zoete · Scientific Reports
Open access |
3 Mar 2017 |
18,169 |
| 4 |
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
Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al. · Advanced Drug Delivery Reviews
Review |
Mar 2001 |
18,154 |
| 5 |
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al. · Advanced Drug Delivery Reviews
Review |
1997 |
11,492 |
| 6 |
Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
ROBERT DITCHFIELD, Warren J. Hehre, John Anthony Pople · The Journal of Chemical Physics
|
15 Jan 1971 |
10,685 |
| 7 |
PLS-regression: a basic tool of chemometrics
Svante Wold, Michael Sjöstróm, Lennart Eriksson · Chemometrics and Intelligent Laboratory Systems
|
Oct 2001 |
10,019 |
| 8 |
A simplification of the protein assay method of Lowry et al. which is more generally applicable
Gary L. Peterson · Analytical Biochemistry
|
Dec 1977 |
8,575 |
| 9 |
Electrospray Ionization for Mass Spectrometry of Large Biomolecules
John B. Fenn, Matthias Mann, Chin Kai Meng et al. · Science
|
6 Oct 1989 |
7,638 |
| 10 |
Quantitative analysis of dose-effect relationships: the combined effects of multiple drugs or enzyme inhibitors
Ting‐Chao Chou, Paul Talalay · Advances in Enzyme Regulation
|
1984 |
7,270 |
| 11 |
Nonionic Triblock and Star Diblock Copolymer and Oligomeric Surfactant Syntheses of Highly Ordered, Hydrothermally Stable, Mesoporous Silica Structures
Dongyuan Zhao, Qisheng Huo, Jianglin Feng et al. · Journal of the American Chemical Society
|
Jun 1998 |
6,678 |
| 12 |
Preparation of fatty acid methyl esters and dimethylacetals from lipids with boron fluoride–methanol
William R. Morrison, Lloyd M. Smith · Journal of Lipid Research
Open access |
Oct 1964 |
6,001 |
| 13 |
Novel solvent properties of choline chloride/urea mixturesElectronic supplementary information (ESI) available: spectroscopic data. See http://www.rsc.org/suppdata/cc/b2/b210714g/
Andrew P. Abbott, Glen Capper, David Lewis Davies et al. · Chemical Communications
Open access |
26 Nov 2002 |
5,650 |
| 14 |
Fast and Easy Multiresidue Method Employing Acetonitrile Extraction/Partitioning and “Dispersive Solid-Phase Extraction” for the Determination of Pesticide Residues in Produce
Michelangelo Anastassiades, Steven J. Lehotay, Darinka Štajnbaher et al. · Journal of AOAC International
|
Mar 2003 |
5,638 |
| 15 |
A Method for Determining the Sedimentation Behavior of Enzymes: Application to Protein Mixtures
Robert G. Martin, Bruce N. Ames · Journal of Biological Chemistry
Open access |
May 1961 |
5,579 |
| 16 |
XCMS: Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification
Colin A. Smith, Elizabeth J. Want, Grace O’Maille et al. · Analytical Chemistry
|
7 Jan 2006 |
5,419 |
| 17 |
Strategies for the Assessment of Matrix Effect in Quantitative Bioanalytical Methods Based on HPLC−MS/MS
Bogdan K. Matuszewski, Marvin L. Constanzer, C.M. Chavez-Eng · Analytical Chemistry
|
4 Jun 2003 |
5,337 |
| 18 |
Determination of malonaldehyde precursor in tissues by thiobarbituric acid test
Mitsuru Uchiyama, Midori Mihara · Analytical Biochemistry
|
May 1978 |
5,212 |
| 19 |
PHENIX : building new software for automated crystallographic structure determination
Paul D. Adams, Ralf W. Grosse‐Kunstleve, Li‐Wei Hung et al. · Acta Crystallographica Section D Biological Crystallography
Open access |
21 Oct 2002 |
4,437 |
| 20 |
A method for the quantitative recovery of protein in dilute solution in the presence of detergents and lipids
D. Wessel, U.I. Flügge · Analytical Biochemistry
|
Apr 1984 |
4,146 |
| 21 |
NMR Chemical Shifts of Trace Impurities: Common Laboratory Solvents, Organics, and Gases in Deuterated Solvents Relevant to the Organometallic Chemist
Gregory R. Fulmer, Alexander J. M. Miller, Nathaniel H. Sherden et al. · Organometallics
|
16 Apr 2010 |
4,076 |
| 22 |
New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
Jonathan B. Baell, Georgina A. Holloway · Journal of Medicinal Chemistry
|
4 Feb 2010 |
4,054 |
| 23 |
Drug-like properties and the causes of poor solubility and poor permeability
Christopher A. Lipinski · Journal of Pharmacological and Toxicological Methods
|
Jul 2000 |
3,766 |
| 24 |
NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities
Hugo Emilio Gottlieb, Vadim Kotlyar, Abraham Nudelman · The Journal of Organic Chemistry
|
Oct 1997 |
3,742 |
| 25 |
Determination of organic compounds in water using dispersive liquid–liquid microextraction
Mohammad Bagher Rezaee, Yaghoub Assadi, Mohammad Reza Milani Hosseini et al. · Journal of Chromatography A
|
31 Mar 2006 |
3,396 |
| 26 |
Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry
Warwick B. Dunn, David Broadhurst, Paul Begley et al. · Nature Protocols
|
30 Jun 2011 |
3,360 |
| 27 |
Two dimensional thin layer chromatographic separation of polar lipids and determination of phospholipids by phosphorus analysis of spots
George Rouser, Sidney Fleischer, Akira Yamamoto · Lipids
|
May 1970 |
3,301 |
| 28 |
Investigation of equilibria in solution. Determination of equilibrium constants with the HYPERQUAD suite of programs
Paul Gans, Antonio Sabatini, Angelo Vacca · Talanta
|
Oct 1996 |
3,268 |
| 29 |
Assay of proteins in the presence of interfering materials
André Bensadoun, David B. Weinstein · Analytical Biochemistry
|
1976 |
3,207 |
| 30 |
Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties
Peter F. Ertl, Bernhard Rohde, Paul M. Selzer · Journal of Medicinal Chemistry
|
19 Sep 2000 |
3,103 |
| 31 |
Solubilization of membranes by detergents
Ari Helenius, Kai Simons · Biochimica et Biophysica Acta (BBA) - Reviews on Biomembranes
|
Mar 1975 |
2,948 |
| 32 |
Stereochemistry of organic compounds
Torren M. Peakman · Geochimica et Cosmochimica Acta
|
May 1995 |
2,947 |
| 33 |
On the dispersion of a solute in a fluid flowing through a tube
R. Aris · Proceedings of the Royal Society of London A Mathematical and Physical Sciences
|
10 Apr 1956 |
2,836 |
| 34 |
Substituent Constants for Correlation Analysis in Chemistry and Biology.
Gordon L. Flynn · Journal of Pharmaceutical Sciences
|
Sep 1980 |
2,829 |
| 35 |
A systematic nomenclature for carbohydrate fragmentations in FAB-MS/MS spectra of glycoconjugates
Bruno Domon, Catherine E. Costello · Glycoconjugate Journal
|
1988 |
2,756 |
| 36 |
A complete basis set model chemistry. VI. Use of density functional geometries and frequencies
John A. Jr. Montgomery, Michael J. Frisch, Joseph W. Ochterski et al. · The Journal of Chemical Physics
|
8 Feb 1999 |
2,748 |
| 37 |
COLORIMETRIC ESTIMATION OF INDOLEACETIC ACID
Solon A. Gordon, Robert P. Weber · PLANT PHYSIOLOGY
Open access |
1951 |
2,710 |
| 38 |
The role of databases in support of computational chemistry calculations
David F. Feller · Journal of Computational Chemistry
|
Oct 1996 |
2,606 |
| 39 |
MassBank: a public repository for sharing mass spectral data for life sciences
Hisayuki Horai et al. · Journal of Mass Spectrometry
Open access |
Jul 2010 |
2,595 |
| 40 |
A BOILED‐Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules
Antoine Daina, Vincent Zoete · ChemMedChem
Open access |
24 May 2016 |
2,581 |
| 41 |
Improving drug solubility for oral delivery using solid dispersions
C Leuner · European Journal of Pharmaceutics and Biopharmaceutics
|
3 Jul 2000 |
2,576 |
| 42 |
Rapid analysis of amino acids using pre-column derivatization
Brian A. Bidlingmeyer, Steven A. Cohen, Thomas L. Tarvin · Journal of Chromatography B Biomedical Sciences and Applications
|
Dec 1984 |
2,524 |
| 43 |
A Colorimetric Method for the Determination of Sugars
M. Dubois, K. A. Gilles, J. Kelvin Hamilton et al. · Nature
|
28 Jul 1951 |
2,519 |
| 44 |
The surface chemistry of amorphous silica. Zhuravlev model
L. T. Zhuravlev · Colloids and Surfaces A Physicochemical and Engineering Aspects
|
Nov 2000 |
2,440 |
| 45 |
The 12 principles of green analytical chemistry and the SIGNIFICANCE mnemonic of green analytical practices
Agnieszka Gałuszka, Zdzisław M. Migaszewski, Jacek Namieśnik · TrAC Trends in Analytical Chemistry
|
28 May 2013 |
2,440 |
| 46 |
New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community
Benjamin P. Pritchard, Doaa Altarawy, Brett Didier et al. · Journal of Chemical Information and Modeling
|
10 Oct 2019 |
2,401 |
| 47 |
Peptide and protein sequence analysis by electron transfer dissociation mass spectrometry
John E. P. Syka, Joshua J. Coon, Melanie J. Schroeder et al. · Proceedings of the National Academy of Sciences
Open access |
21 Jun 2004 |
2,380 |
| 48 |
Molecular Imprinting in Cross‐Linked Materials with the Aid of Molecular Templates— A Way towards Artificial Antibodies
Günter Wulff · Angewandte Chemie International Edition in English
|
15 Sep 1995 |
2,365 |
| 49 |
Kinetic models of sorption: a theoretical analysis
Saeid Azizian · Journal of Colloid and Interface Science
|
23 Apr 2004 |
2,324 |
| 50 |
METLIN
Colin A. Smith, Grace O Maille, Elizabeth J. Want et al. · Therapeutic Drug Monitoring
|
Dec 2005 |
2,257 |