Quantitative structure-activity relationships and the unnamed science

A survey of Hammett substituent constants and resonance and field parameters

Hansch, C. H., Leo, A. J., & TAFT, R. W. (1991) · Chemical Reviews · doi:10.1021/cr00002a004 · Cited by 8,676 · see citing works

A major inducer of anticarcinogenic protective enzymes from broccoli: Isolation and elucidation of structure

Zhang, Y., Talalay, P., Cho, C. G., & Posner, G. H. (1992) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.89.6.2399 · Cited by 1,682 · see citing works

Relationships between lipophilicity and root uptake and translocation of non‐ionised chemicals by barley

Briggs, G. G., Bromilow, R. H., & Evans, A. A. (1982) · Pesticide Science · doi:10.1002/ps.2780130506 · Cited by 1,095 · see citing works

Quantitative approach to biochemical structure-activity relationships

Hansch, C. H. (1969) · Accounts of Chemical Research · doi:10.1021/ar50020a002 · Cited by 921 · see citing works

Identification of a common chemical signal regulating the induction of enzymes that protect against chemical carcinogenesis.

Talalay, P., Long, M. J., & Prochaska, H. J. (1988) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.85.21.8261 · Cited by 595 · see citing works

Parabolic dependence of drug action upon lipophilic character as revealed by a study of hypnotics

Hansch, C. H., Steward, A. R., Anderson, S. M., & Bentley, D. L. (1968) · Journal of Medicinal Chemistry · doi:10.1021/jm00307a001 · Cited by 232 · see citing works

Relative Lipophilicities, Solubilities, and Structure–Pharmacological Considerations of 3-Hydroxy-3-Methylglutaryl-Coenzyme A (HMG-CoA) Reductase Inhibitors Pravastatin, Lovastatin, Mevastatin, and Simvastatin

Serajuddin, A. T. M., Ranadive, S. A., & Mahoney, E. M. (1991) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.2600800905 · Cited by 203 · see citing works

Structure-activity relationships of dihydrofolated reductase inhibitors

Blaney, J. M., Hansch, C. H., Silipo, C., & Vittoria, A. (1984) · Chemical Reviews · doi:10.1021/cr00062a002 · Cited by 156 · see citing works

Molecular graphics and QSAR in the study of enzyme-ligand interactions. On the definition of bioreceptors

Hansch, C. H., & Klein, T. E. (1986) · Accounts of Chemical Research · doi:10.1021/ar00132a003 · Cited by 141 · see citing works

Toward A Quantitative Comparative Toxicology of Organic Compounds

Hansch, C. H., Kim, D., Leo, A. J., Novellino, E., Silipo, C., Vittoria, A., Bond, J. A., & Henderson, R. F. (1989) · Critical Reviews in Toxicology · doi:10.3109/10408448909037471 · Cited by 134 · see citing works

Oxidation of substituted N,N-dimethylanilines by cytochrome P-450: estimation of the effective oxidation-reduction potential of cytochrome P-450

Macdonald, T. L., Gutheim, W. G., Martin, R. B., & Guengerich, F. P. (1989) · Biochemistry · doi:10.1021/bi00431a016 · Cited by 122 · see citing works

The Effect of Substituents on the Deacylation of Benzoyl-Chymotrypsins

Caplow, M., & Jencks, W. P. (1962) · Biochemistry · doi:10.1021/bi00911a022 · Cited by 112 · see citing works

Antifungal Activity of Isothiocyanates and Related Compounds

Drobnica, L., Zemanová, M., Němec, P., Antoš, K., Kristián, P., Štullerová, A., Knoppová, V., & Němec, P. (1967) · Applied Microbiology · doi:10.1128/am.15.4.701-709.1967 · Cited by 108 · see citing works

[25] Hydrophobic parameter: Measurement and calculation

Leo, A. J. (1991) · Methods in enzymology on CD-ROM/Methods in enzymology · doi:10.1016/0076-6879(91)02027-7 · Cited by 86 · see citing works

Quantitative structure‐activity relationship investigation of the role of hydrophobicity in regulating mutagenicity in the Ames test: 2. Mutagenicity of aromatic and heteroaromatic nitro compounds in Salmonella typhimurium TA100

Debnath, A. K., de Compadre, R. L. L., Shusterman, A. J., & Hansch, C. H. (1992) · Environmental and Molecular Mutagenesis · doi:10.1002/em.2850190108 · Cited by 84 · see citing works

Mode of action and quantitative structure-activity correlations of tuberculostatic drugs of the isonicotinic acid hydrazide type

Seydel, J. K., Schaper, K., Wempe, E., & Cordes, H. P. (1976) · Journal of Medicinal Chemistry · doi:10.1021/jm00226a007 · Cited by 79 · see citing works

Effects of lovastatin and pravastatin on sleep efficiency and sleep stages

Vgontzas, A. N., Kales, A., Bixler, E. O., Manfredi, R. L., & Tyson, K. L. (1991) · Clinical Pharmacology & Therapeutics · doi:10.1038/clpt.1991.213 · Cited by 72 · see citing works

Influence of Hydrophobic Character on the Relative Rate of Oxidation of Drugs by Rat Liver Microsomes

Martin, Y. C. (1971) · Journal of Medicinal Chemistry · doi:10.1021/jm00291a600 · Cited by 63 · see citing works

The structure-activity relationship of skin carcinogenicity of aromatic hydrocarbons and heterocycles

Zhang, L., Sannes, K. A., Shusterman, A. J., & Hansch, C. H. (1992) · Chemico-Biological Interactions · doi:10.1016/0009-2797(92)90032-g · Cited by 56 · see citing works

A quantitative structure-activity relationship and molecular graphics study of carbonic anhydrase inhibitors.

Hänsch, C., McClarin, J. A., Klein, T. E., & Langridge, R. (1985) · Molecular Pharmacology · doi:10.1016/s0026-895x(25)12553-4 · Cited by 56 · see citing works

Mutagenicity of substituted (o-phenylenediamine)platinum dichloride in the Ames test. A quantitative structure-activity analysis

Hansch, C. H., Venger, B. H., & Panthananickal, A. (1980) · Journal of Medicinal Chemistry · doi:10.1021/jm00178a019 · Cited by 55 · see citing works

Structure-activity relationships in antitumor aniline mustards

Panthananickal, A., Hansch, C. H., Leo, A. J., & Quinn, F. R. (1978) · Journal of Medicinal Chemistry · doi:10.1021/jm00199a004 · Cited by 53 · see citing works

Bacteriostats. II.1 The Chemical and Bacteriostatic Properties of Isothiocyanates and their Derivatives

McKay, A. F., Garmaise, D. L., Gaudry, R., Baker, H., Paris, G. Y., Kay, R. W., Just, G., & Schwartz, R. (1959) · Journal of the American Chemical Society · doi:10.1021/ja01525a057 · Cited by 53 · see citing works

Mutagenicity of quinolines in Salmonella typhimurium TA100. A QSAR study based on hydrophobicity and molecular orbital determinants

Debnath, A. K., de Compadre, R. L. L., & Hansch, C. H. (1992) · Mutation Research/Genetic Toxicology · doi:10.1016/0165-1218(92)90018-u · Cited by 47 · see citing works

The Correlation of Localization Rates of Benzeneboronic Acids in Brain and Tumor Tissue with Substituent Constants

Hansch, C. H., STEWARD, A. R., & Iwasa, J. (1965) · Molecular Pharmacology · doi:10.1016/s0026-895x(25)14719-6 · Cited by 38 · see citing works

[24] Quantitative structure-activity relationships and molecular graphics in evaluation of enzyme-ligand interactions

Hansch, C. H., & Klein, T. E. (1991) · Methods in enzymology on CD-ROM/Methods in enzymology · doi:10.1016/0076-6879(91)02026-6 · Cited by 37 · see citing works

structure‐activity relationship of genotoxic polycyclic aromatic nitro compounds: Further evidence for the importance of hydrophobicity and molecular orbital energies in genetic toxicity

Debnath, A. K., & Hansch, C. H. (1992) · Environmental and Molecular Mutagenesis · doi:10.1002/em.2850200210 · Cited by 31 · see citing works

Inhibitory effects of BHC isomers on Na+-K+-ATPase, yeast growth, and nerve conduction

Uchida, M., Kurihara, N., Fujita, T., & Nakajima, M. (1974) · Pesticide Biochemistry and Physiology · doi:10.1016/0048-3575(74)90109-6 · Cited by 29 · see citing works

Quantitative structure-activity relationships in the inhibition of photosystem II in chloroplasts by phenylureas

Kakkis, E., Palmire, V. C., Strong, C. D., Bertsch, W. F., Hansch, C. H., & Schirmer, U. (1984) · Journal of Agricultural and Food Chemistry · doi:10.1021/jf00121a034 · Cited by 29 · see citing works

Inhibition of Carbonic Anhydrase by Substituted Benzenesulfonamides. A Reinvestigation by QSAR and Molecular Graphics Analysis

Carotti, A., Raguseo, C., Campagna, F., Langridge, R., & Klein, T. E. (1989) · Quantitative Structure-Activity Relationships · doi:10.1002/qsar.19890080102 · Cited by 25 · see citing works

Aromatic amino acid hydroxylase inhibitors. 3. In vitro inhibition by azadopamine analogs

Hare, L. E., Lu, M. C., SULLIVAN, C. B., Sullivan, P., Counsell, R. E., & Weinhold, P. A. (1974) · Journal of Medicinal Chemistry · doi:10.1021/jm00247a001 · Cited by 21 · see citing works

Mechanism of the addition of alcohols to substituted phenylisothiocyanates

Rao, C. N. R., & Venkataraghavan, R. (1962) · Tetrahedron · doi:10.1016/s0040-4020(01)92703-6 · Cited by 20 · see citing works

Haftfestigkeit organischer Radikale und Reaktionsfähigkeit, III. Mitteil.: Verseifung von Estern und Reduktion von Nitro‐Verbindungen

Kindler, K. (1936) · Berichte der deutschen chemischen Gesellschaft (A and B Series) · doi:10.1002/cber.19360691239 · Cited by 17 · see citing works

Electronic effects in elimination reactions. VI. Bimolecular eliminations from 1-aryl-2-propyl and 2-aryl-1-propyl tosylates and bromides

DePuy, C. H., Storm, D. L., Frey, J. T., & Naylor, C. G. (1970) · The Journal of Organic Chemistry · doi:10.1021/jo00833a059 · Cited by 15 · see citing works

Rate enhancement of ester saponification in aqueous dimethyl sulphoxide: a case for the importance of transition state solvation

Balakrishnan, M., Rao, G. V., & Venkatasubramanian, N. (1974) · Journal of the Chemical Society Perkin Transactions 2 · doi:10.1039/p29740000006 · Cited by 14 · see citing works

Some relationships between biological activity and physico-chemical properties of monosubstituted phenylisothiocyanates

Vlachova, D., & Drobnica, L. (1966) · Collection of Czechoslovak Chemical Communications · doi:10.1135/cccc19660997 · Cited by 13 · see citing works

The deacylation of substituted benzoyl-α-chymotrypsins

Amshey, J. W., Jindal, S. P., & Bender, M. L. (1975) · Archives of Biochemistry and Biophysics · doi:10.1016/0003-9861(75)90310-0 · Cited by 12 · see citing works

286. The kinetics of alkaline hydrolysis of substituted ethyl 1-naphthoates

Fischer, A., Mitchell, W. J., Ogilvie, G. S., Packer, J. E., Packer, J. E., & Vaughan, J. (1958) · Journal of the Chemical Society (Resumed) · doi:10.1039/jr9580001426 · Cited by 11 · see citing works

The Removal of Hydrogen and Acid Radicals from Organic Compounds by Means of Bases. I. The Removal of Hydrogen Chloride from Ald-chlorimines by Sodium Hydroxide. Rates of Reaction in Alcoholic Solution1

Hauser, C. R., LeMaistre, J. W., & Rainsford, A. E. (1935) · Journal of the American Chemical Society · doi:10.1021/ja01309a023 · Cited by 11 · see citing works

Backbonding and polar effects in aminoalkylbenzene derivatives

Smith, J. H., & Menger, F. M. (1969) · The Journal of Organic Chemistry · doi:10.1021/jo00838a019 · Cited by 10 · see citing works

Transmission of Electronic Effects by the Acetylenic Group. Rates of Alkaline Hydrolysis of m- and p-Substituted Ethyl Phenylpropiolates

Fuchs, R. (1963) · The Journal of Organic Chemistry · doi:10.1021/jo01046a505 · Cited by 10 · see citing works

Ortho effects IV. Rates of alkaline hydrolysis of ethyl benzoates in aqueous dimethyl sulfoxides

Hojo, M., Utaka, M., & Yoshida, Z. (1966) · Tetrahedron Letters · doi:10.1016/s0040-4039(01)99624-8 · Cited by 9 · see citing works

Stereo-electronic Effects in the Alkaline Hydrolysis of Benzamides and Benzonitriles

Cohen, L. A., & Jones, W. M. (1962) · Journal of the American Chemical Society · doi:10.1021/ja00868a023 · Cited by 9 · see citing works

The design of postemergence phenylurea herbicides using physiochemical parameters and structure-activity analyses

Cross, B., Hoffman, P. P., Santora, G. T., Spatz, D. M., & Templeton, A. R. (1983) · Journal of Agricultural and Food Chemistry · doi:10.1021/jf00116a018 · Cited by 8 · see citing works

FUNGUS-INHIBITIVE PROPERTIES OF BROMOACETAMIDES

Leonard, J. M., & Blackford, V. L. (1949) · Journal of Bacteriology · doi:10.1128/jb.57.3.339-347.1949 · Cited by 7 · see citing works

A Multiple Hammett Study of the Nucleophilic Substitution Reaction of ∝-Carbonyl Derivatives

Yoh, S., & Lee, O.-S. (1988) · Tetrahedron Letters · doi:10.1016/s0040-4039(00)80514-6 · Cited by 5 · see citing works

Mechanisms of elimination reactions. Part III. Rate coefficients for elimination from substituted 2-phenylethyl arenesulphonates with potassium in t-butyl alcohol

Banger, J., Cockerill, A. F., & Davies, G. L. O. (1971) · Journal of the Chemical Society B Physical Organic · doi:10.1039/j29710000498 · Cited by 5 · see citing works

Weitere Evidenz für die mikroskopische Gleichzeitigkeit des Bruches zweier Bindungen bei einer E2‐Reaktion: H‐Isotopeneffekte und Substituentenwirkungen bei der Reaktion von 2,2‐Diphenyläthyl‐benzolsulfonat mit Methoxid‐Ion

Willi, A. V. (1966) · Helvetica Chimica Acta · doi:10.1002/hlca.19660490539 · Cited by 4 · see citing works

A QSAR Approach to the Study of Structural Requirements of Muscarinic Receptor Ligands Part I: Agonists

Pratesi, P., Caliendo, G., Silipo, C., & Vittoria, A. (1992) · Quantitative Structure-Activity Relationships · doi:10.1002/qsar.19920110102 · Cited by 3 · see citing works

A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery. 1. A Qualitative and Quantitative Characterization of Known Drug Databases

Ghose, A. K., Viswanadhan, V. N., & Wendoloski, J. J. (1998) · Journal of Combinatorial Chemistry · doi:10.1021/cc9800071 · Cited by 3,095 · see citing works

Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource

Filimonov, D. A., Lagunin, A. A., Gloriozova, T. A., Rudik, A. V., Druzhilovskiy, D. S., Pogodin, P. V., & Poroikov, V. (2014) · Chemistry of Heterocyclic Compounds · doi:10.1007/s10593-014-1496-1 · Cited by 1,359 · see citing works

Binding Mechanisms in Supramolecular Complexes

Schneider, H. (2009) · Angewandte Chemie International Edition · doi:10.1002/anie.200802947 · Cited by 1,149 · see citing works

Profound Methyl Effects in Drug Discovery and a Call for New CH Methylation Reactions

Schönherr, H., & Cernak, T. (2013) · Angewandte Chemie International Edition · doi:10.1002/anie.201303207 · Cited by 1,104 · see citing works

QSAR without borders

Muratov, E. N., Bajorath, J., Sheridan, R. P., Tetko, I. V., Filimonov, D., Poroikov, V., Oprea, T. I., Baskin, I. I., Varnek, A., Roitberg, A., et al. (2020) · Chemical Society Reviews · doi:10.1039/d0cs00098a · Cited by 913 · see citing works

Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods

Ghose, A. K., Viswanadhan, V. N., & Wendoloski, J. J. (1998) · The Journal of Physical Chemistry A · doi:10.1021/jp980230o · Cited by 796 · see citing works

Application and Limitations of X‐ray Crystallographic Data in Structure‐Based Ligand and Drug Design

Davis, A. M., Teague, S. J., & Kleywegt, G. J. (2003) · Angewandte Chemie International Edition · doi:10.1002/anie.200200539 · Cited by 386 · see citing works

Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure

Wessel, M. D., Jurs, P. C., Tolan, J. W., & Muskal, S. M. (1998) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci980029a · Cited by 368 · see citing works

An index for characterization of nanomaterials in biological systems

Xia, X., Monteiro-Riviere, N. A., & Riviere, J. E. (2010) · Nature Nanotechnology · doi:10.1038/nnano.2010.164 · Cited by 352 · see citing works

Safety of Non-Antiarrhythmic Drugs that Prolong the QT Interval or Induce Torsade de Pointes

Ponti, F. D., Poluzzi, E., Cavalli, A., Recanatini, M., & Montanaro, N. (2002) · Drug Safety · doi:10.2165/00002018-200225040-00004 · Cited by 309 · see citing works

Why Are Proteins Charged? Networks of Charge–Charge Interactions in Proteins Measured by Charge Ladders and Capillary Electrophoresis

Gitlin, I., Carbeck, J. D., & Whitesides, G. M. (2006) · Angewandte Chemie International Edition · doi:10.1002/anie.200502530 · Cited by 286 · see citing works

Comparative QSAR Analysis of Estrogen Receptor Ligands

Gao, H., Katzenellenbogen, J. A., Garg, R., & Hansch, C. H. (1999) · Chemical Reviews · doi:10.1021/cr980018g · Cited by 261 · see citing works

Robustness of Biological Activity Spectra Predicting by Computer Program PASS for Noncongeneric Sets of Chemical Compounds

Poroikov, V., Filimonov, D. A., Borodina, Y. V., Lagunin, A. A., & Kos, A. J. (2000) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci000383k · Cited by 254 · see citing works

Comparative Quantitative Structure−Activity Relationship Studies on Anti-HIV Drugs

Garg, R., Gupta, S. P., Gao, H., Babu, M. S., Debnath, A. K., & Hansch, C. H. (1999) · Chemical Reviews · doi:10.1021/cr9703358 · Cited by 251 · see citing works

Chem-Bioinformatics and QSAR: A Review of QSAR Lacking Positive Hydrophobic Terms

Hansch, C. H., Kurup, A., Garg, R., & Gao, H. (2001) · Chemical Reviews · doi:10.1021/cr0000067 · Cited by 238 · see citing works

Comparative QSAR: Toward a Deeper Understanding of Chemicobiological Interactions

Hansch, C. H., Hoekman, D. A., & Gao, H. (1996) · Chemical Reviews · doi:10.1021/cr9400976 · Cited by 236 · see citing works

Chem-Bioinformatics: Comparative QSAR at the Interface between Chemistry and Biology

Hansch, C. H., Hoekman, D., Leo, A. J., Weininger, D., & Selassie, C. D. (2002) · Chemical Reviews · doi:10.1021/cr0102009 · Cited by 216 · see citing works

The expanding role of quantitative structure-activity relationships (QSAR) in toxicology

Hansch, C. H., Hoekman, D. A., Leo, A. J., Zhang, L., & Li, P. (1995) · Toxicology Letters · doi:10.1016/0378-4274(95)03356-p · Cited by 188 · see citing works

Bindungsmechanismen in supramolekularen Komplexen

Schneider, H. (2009) · Angewandte Chemie · doi:10.1002/ange.200802947 · Cited by 183 · see citing works

QSAR and 3D QSAR in drug design Part 2: applications and problems

Kubinyi, H. (1997) · Drug Discovery Today · doi:10.1016/s1359-6446(97)01084-2 · Cited by 177 · see citing works

Ausgeprägte Methyleffekte in der Wirkstoff‐Forschung und der Bedarf an neuen C‐H‐Methylierungsreaktionen

Schönherr, H., & Cernak, T. (2013) · Angewandte Chemie · doi:10.1002/ange.201303207 · Cited by 175 · see citing works

Alternative Measures of Lipophilicity: From Octanol–Water Partitioning to IAM Retention

Giaginis, C., & Tsantili‐Kakoulidou, A. (2008) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.21244 · Cited by 140 · see citing works

Comparative QSAR: Radical Reactions of Benzene Derivatives in Chemistry and Biology

Hansch, C. H., & Gao, H. (1997) · Chemical Reviews · doi:10.1021/cr9601021 · Cited by 135 · see citing works

Screening Derivatized Peptide Libraries for Tight Binding Inhibitors to Carbonic Anhydrase II by Electrospray Ionization-Mass Spectrometry

Gao, J., Cheng, X., Chen, R., Sigal, G. B., Bruce, J. E., Schwartz, B. L., Hofstadler, S. A., Anderson, G., Smith, R. D., & Whitesides, G. M. (1996) · Journal of Medicinal Chemistry · doi:10.1021/jm960013g · Cited by 132 · see citing works

Solvent Selection for Whole Cell Biotransformations in Organic Media

Salter, G. J., & Kell, D. B. (1995) · Critical Reviews in Biotechnology · doi:10.3109/07388559509147404 · Cited by 121 · see citing works

Lipophilicity and biomimetic properties to support drug discovery

Tsopelas, F. N., Giaginis, C., & Tsantili‐Kakoulidou, A. (2017) · Expert Opinion on Drug Discovery · doi:10.1080/17460441.2017.1344210 · Cited by 121 · see citing works

Using a Convenient, Quantitative Model for Torsional Entropy To Establish Qualitative Trends for Molecular Processes That Restrict Conformational Freedom

Mammen, M., Shakhnovich, E. I., & Whitesides, G. M. (1998) · The Journal of Organic Chemistry · doi:10.1021/jo970943n · Cited by 120 · see citing works

Nonlinear Signal Analysis Methods in the Elucidation of Protein Sequence−Structure Relationships

Giuliani, A., Benigni, R., Zbilut, J. P., Webber, C. L., Sirabella, P., & Colosimo, A. (2002) · Chemical Reviews · doi:10.1021/cr0101499 · Cited by 107 · see citing works

Hammett correlations ‘beyond the molecule’ 1

Ashton, P. R., Fyfe, M. C. T., Hickingbottom, S. K., Stoddart, J. F., White, A. J. P., & Williams, D. J. (1998) · Journal of the Chemical Society Perkin Transactions 2 · doi:10.1039/a802406e · Cited by 99 · see citing works

Carbonic Anhydrase-Inhibitor Binding: From Solution to the Gas Phase

Wu, Q., Gao, J., Joseph‐McCarthy, D., Sigal, G. B., Bruce, J. E., Whitesides, G. M., & Smith, R. D. (1997) · Journal of the American Chemical Society · doi:10.1021/ja9630250 · Cited by 93 · see citing works

Use of calculated quantum chemical properties as surrogates for solvatochromic parameters in structure-activity relationships

Cramer, C. J., Famini, G. R., & Lowrey, A. H. (1993) · Accounts of Chemical Research · doi:10.1021/ar00035a006 · Cited by 93 · see citing works

Linear free energy relationships and pairwise interactions in supramolecular chemistry

Schneider, H.-J. (1994) · Chemical Society Reviews · doi:10.1039/cs9942300227 · Cited by 92 · see citing works

Solubility predictions for crystalline nonelectrolyte solutes dissolved in organic solvents based upon the Abraham general solvation model

Acree, W. E., & Abraham, M. H. (2001) · Canadian Journal of Chemistry · doi:10.1139/cjc-79-10-1466 · Cited by 88 · see citing works

A molecular mechanics force field for NAD+ NADH, and the pyrophosphate groups of nucleotides

Pavelites, J. J., Gao, J., Bash, P. A., & MacKerell, A. D. (1997) · Journal of Computational Chemistry · doi:10.1002/(sici)1096-987x(19970130)18:2 · Cited by 204 · see citing works

Calculation of the Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons by an Incremental Procedure

Nass, K., Lenoir, D., & Kettrup, A. (1995) · Angewandte Chemie International Edition in English · doi:10.1002/anie.199517351 · Cited by 84 · see citing works

Modeling Kinetics of Subcellular Disposition of Chemicals

Baláž, Š. (2009) · Chemical Reviews · doi:10.1021/cr030440j · Cited by 82 · see citing works

Octanol-Water Partition Constant

Amézqueta, S., Subirats, X., Fuguet, E., Rosés, M., & Ràfols, C. (2019) · Elsevier eBooks · doi:10.1016/b978-0-12-816911-7.00006-2 · Cited by 82 · see citing works

Cyclooxygenase (COX) Inhibitors: A Comparative QSAR Study

Garg, R., Kurup, A., Mekapati, S. B., & Hansch, C. H. (2003) · Chemical Reviews · doi:10.1021/cr020464a · Cited by 76 · see citing works

Increasing Binding Constants of Ligands to Carbonic Anhydrase by Using "Greasy Tails"

Gao, J., Qiao, S., & Whitesides, G. M. (1995) · Journal of Medicinal Chemistry · doi:10.1021/jm00013a005 · Cited by 75 · see citing works

Quantitative structure-activity relationships for the developmental toxicity of haloacetic acids in mammalian whole embryo culture

Richard, A. M., & Hunter, E. S. (1996) · Teratology · doi:10.1002/(sici)1096-9926(199606)53:6 · Cited by 72 · see citing works

Comparative molecular field analysis (CoMFA)

Kim, K. H. (1995) · Springer eBooks · doi:10.1007/978-94-011-1350-2_12 · Cited by 71 · see citing works

Comparative QSAR: Angiotensin II Antagonists

Kurup, A., Garg, R., Carini, D. J., & Hansch, C. H. (2001) · Chemical Reviews · doi:10.1021/cr000025g · Cited by 69 · see citing works

Phenol toxicity in leukemia cells: a radical process?

Selassie, C. D., DeSoyza, T. V., del Rosario, M. C., Gao, H., & Hansch, C. H. (1998) · Chemico-Biological Interactions · doi:10.1016/s0009-2797(98)00027-1 · Cited by 69 · see citing works

The second National Toxicology Program comparative exercise on the prediction of rodent carcinogenicity: definitive results

Benigni, R., & Zito, R. (2003) · Mutation Research/Reviews in Mutation Research · doi:10.1016/s1383-5742(03)00051-6 · Cited by 67 · see citing works

Theoretical and Practical Aspects of Three‐Dimensional Quantitative Structure‐Activity Relationships

Oprea, T. I., & Waller, C. L. (1997) · Reviews in computational chemistry · doi:10.1002/9780470125885.ch3 · Cited by 65 · see citing works

Human cytotoxicity and octanol/water partition coefficients of fluorinated ionic liquids

Vieira, N. S. M., Bastos, J. C., Rebelo, L. P. N., Matias, A. A., Araújo, J. M. M., & Pereiro, A. B. (2018) · Chemosphere · doi:10.1016/j.chemosphere.2018.10.159 · Cited by 63 · see citing works

Applications of a Solvation Equation to Drug Transport Properties

Abraham, M. H., & Chadha, H. S. (1996) · Methods and principles in medicinal chemistry · doi:10.1002/9783527614998.ch18 · Cited by 61 · see citing works

Quantitative Structure–Activity Relationships in Drug Design

Kubinyi, H. (1998) · Encyclopedia of Computational Chemistry · doi:10.1002/0470845015.cqa005 · Cited by 59 · see citing works

Nonlinear Methods in the Analysis of Protein Sequences: A Case Study in Rubredoxins

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Searching for pharmacophoric patterns in databases of three‐dimensional chemical structures

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