Correlation of Biological Activity of Phenoxyacetic Acids with Hammett Substituent Constants and Partition Coefficients
HANSCH, CORWIN, MALONEY, PEYTON P., FUJITA, TOSHIO, MUIR, ROBERT M.·1962·Nature
DOI 10.1038/194178b0
Cited by (1,000)
Items 301–400 of 1,000
- Going All In: A Strategic Investment in In Silico ToxicologyJakub Kostal, Adelina M. Voutchkova‐Kostal · 2020 · Chemical Research in Toxicology
- A General QSAR Model for Predicting the Acute Toxicity of Pesticides to Lepomis MacrochirusJames Devillers · 2001 · SAR and QSAR in environmental research
- Quantitative structure–activity relationships and the prediction of MHC supermotifsIrini Atanas Doytchinova, Pingping Guan, Darren R. Flower · 2004 · Methods
- Effect of Surfactants on Absorption through Membranes III: Effects of Dioctyl Sodium Sulfosuccinate and Poloxalene on Absorption of a Poorly Absorbable Drug, Phenolsulfonphthalein, in RatsShah Malik, Donald H. Canaham, M. Wafik Gouda · 1975 · Journal of Pharmaceutical Sciences
- Effect of Bile Salts on Partitioning Behavior and Gi Absorption of a Quaternary Ammonium Compound, Isopropamide IodideTimothy S. Gaginella, Paul Bass, John H. Perrin, Joseph J. Vallner · 1973 · Journal of Pharmaceutical Sciences
- MolPredictX: Online Biological Activity Predictions by Machine Learning ModelsMarcus Tullius Scotti, Chonny Herrera‐Acevedo, Renata Priscila Barros de Menezes, Holli‐Joi Martin, Eugene N. Muratov, Ávilla Ítalo de Souza Silva, Emmanuella Faustino Albuquerque, Lucas Ferreira Calado, Ericsson David Coy-Barrera, Luciana Scotti · 2022 · Molecular Informatics
- Global Performance and Trend of QSAR/QSPR Research: A Bibliometric AnalysisLi Li, Jianxin Hu, Yuh‐Shan Ho · 2014 · Molecular Informatics
- Artificial Neural Network and Docking Study in Design and Synthesis of Xanthenes as Antimicrobial AgentsElma Veljović, Selma Špirtović‐Halilović, Samija Muratović, Amar Osmanović, Almir Badnjević, Lejla Gurbeta, Berina Tatlić, Zerina Zorlak, Selma Imamović, Đenana Husić et al. · 2017 · World Congress on Medical Physics and Biomedical Engineering, September 7 - 12, 2009, Munich, Germany
- Quantitative structure-toxicity relationship model for acute toxicity of organophosphates via multiple administration routes in rats and miceLiang-Liang Wang, Junjie Ding, Pan Li, Li Fu, Jia-Hao Tian, Dongsheng Cao, Hui Jiang, Xiaoqin Ding · 2020 · Journal of Hazardous Materials
- Structure/Properties Relationship for Bis(phenoxyamine)Zr(IV)-Based Olefin Polymerization Catalysts: A Simple DFT Model To Predict Catalytic ActivityGianluca Ciancaleoni, Natascia Fraldi, Roberta Cipullo, Vincenzo Busico, Alceo Macchioni, Peter H. M. Budzelaar · 2012 · Macromolecules
- On Applications of QSARs in Food and Agricultural Sciences: History and Critical Review of Recent DevelopmentsSupratik Kar, Kunal Roy, Jerzy Leszczyński · 2017 · Challenges and advances in computational chemistry and physics
- QSAR models for the acute toxicity of 1,2,4-triazole fungicides to zebrafish (Danio rerio) embryosKun Qiao, Wenjie Fu, Yao Jiang, Lili Chen, Shuying Li, Qingfu Ye, Wenjun Gui · 2020 · Environmental Pollution
- QSAR Study of p56lck Protein Tyrosine Kinase Inhibitory Activity of Flavonoid Derivatives Using MLR and GA-PLSAfshin Fassihi, Razieh Sabet · 2008 · International Journal of Molecular Sciences
- Structure-activity relationships for rat and mouse LD50 of miscellaneous alcoholsWang Guilian, Bai Naibin · 1998 · Chemosphere
- A Novel Approach to QSPR/QSAR Based on Neural Networks for StructuresAnna Maria Bianucci, Alessio Micheli, Alessandro Sperduti, Antonina Starita · 2003 · Studies in fuzziness and soft computing
- Investigation of DNA‐Binding Properties of Organic Molecules Using Quantitative Structure‐Activity Relationship (QSAR) ModelsRajeshwar P. Verma, Corwin H. Hansch · 2007 · Journal of Pharmaceutical Sciences
- New approaches to QSAR: Neural networks and machine learningRoss D. King, Jonathan D. Hirst, Michael J.E. Sternberg · 1993 · Perspectives in Drug Discovery and Design
- Chemometric QSAR Modeling and In Silico Design of Antioxidant NO Donor PhenolsIndrani Mitra · 2010 · Scientia Pharmaceutica
- Classification of small molecules by two- and three-dimensional decomposition kernelsAlessio Ceroni, Fabrizio Costa, Paolo Frasconi · 2007 · Bioinformatics
- Statistical thinking and technique for QSAR and related studies. Part I: General theoryM. Stone, Philip Jonathan · 1993 · Journal of Chemometrics
- A General QSAR Model for Predicting the Acute Toxicity of Pesticides toOncorhynchus mykissJames Devillers, J. Flatin · 2000 · SAR and QSAR in environmental research
- Universal model for the calculation of all organic solvent–water partition coefficientsFrancisco Torrens, José Sánchez-Marín, Ignacio Nebot‐Gil · 1998 · Journal of Chromatography A
- Statistical molecular design of peptoid librariesAnna Linusson, Svante Wold, Bo Nordén · 1998 · Molecular Diversity
- Construction of an MLR-QSAR Model Based on Dietary Flavonoids and Screening of Natural α-Glucosidase InhibitorsTing Yang, Zichen Yang, Fei Pan, Yijia Jia, Shengbao Cai, Liang Zhao, Liang Zhao, Ou Wang, Chengtao Wang · 2022 · Foods
- In Silico Drug Design Methods for Drug RepurposingBashir Akhlaq Akhoon, Harshita Tiwari, Amit Nargotra · 2019 · Elsevier eBooks
- Quantitative structure activity relationship studies of aryl heterocycle-based thrombin inhibitorsSumit Deswal, Nilanjan Roy · 2006 · European Journal of Medicinal Chemistry
- QSAR model for ethylene polymerisation catalysed by supported bis(imino)pyridine iron complexesVíctor L. Cruz, J. Martinez, Javier Martínez‐Salazar, Javier Ramos, Manuel L. Reyes, Alejandro Toro‐Labbé, Soledad Gutiérrez‐Oliva · 2007 · Polymer
- Convenient Nonlinear Model for Predicting the Tissue/Blood Partition Coefficients of Seven Human Tissues of Neutral, Acidic, and Basic Structurally Diverse CompoundsHuabei Zhang, Yaling Zhang · 2006 · Journal of Medicinal Chemistry
- Review of quantitative structure‐activity/property relationship studies of dyes: recent advances and perspectivesFeng Luan, Xuan Xu, Huitao Liu, M. Natália D. S. Cordeiro · 2013 · Coloration Technology
- The enantioselectivity in asymmetric ketone hydrogenation catalyzed by RuH 2 (diphosphine)(diamine) complexes: insights from a 3D-QSSR and DFT studyLongfei Li, Yuhui Pan, Ming Lei · 2016 · Catalysis Science & Technology
- Density Prediction of Ionic Liquids at Different Temperatures Using the Average Free Volume ModelYang Yu, Yunyun Chen · 2021 · ACS Omega
- Applications of the octanol–air partitioning ratio: a critical reviewSivani Baskaran, Frank Wania · 2023 · Environmental Science Atmospheres
- AutoWeka: Toward an Automated Data Mining Software for QSAR and QSPR StudiesChanin Nantasenamat, Apilak Worachartcheewan, Saksiri Jamsak, Likit Preeyanon, Watshara Shoombuatong, Saw Simeon, Prasit Mandi, Chartchalerm Isarankura‐Na‐Ayudhya, Virapong Prachayasittikul · 2014 · Methods in molecular biology
- Analysis and Comparison of Vector Space and Metric Space Representations in QSAR ModelingSamina Kausar, André O. Falcão · 2019 · Molecules
- Synthesis, characterization and photodynamic activity of Sn( iv ) triarylcorroles with red-shifted Q bandsBalaji Babu, Earl Prinsloo, John P. Mack, Tebello Nyokong · 2019 · New Journal of Chemistry
- Lipophilicity of novel antitumour and analgesic active 8-aryl-2,6,7,8-tetrahydroimidazo[2,1-c][1,2,4]triazine-3,4-dione derivatives determined by reversed-phase HPLC and computational methodsKrzysztof Sztanke, Wojciech Markowski, Ryszard Świeboda, Beata Polak · 2010 · European Journal of Medicinal Chemistry
- QSAR Studies of Copper Azamacrocycles and Thiosemicarbazones: MM3 Parameter Development and Prediction of Biological PropertiesPeter Wolohan, Jeongsoo Yoo, Michael John Welch, David E. C. Reichert · 2005 · Journal of Medicinal Chemistry
- Relationships between octan‐1‐ol/water partition coefficients, aqueous activity coefficients and reversed phase HPLC capacity factors of alkylbenzenes, chlorobenzenes, chloronaphthalenes and chlorobiphenylsAntoon Opperhuizen · 1987 · Toxicological & Environmental Chemistry Reviews
- Insight into the structural requirements of pyrimidine-based phosphodiesterase 10A (PDE10A) inhibitors by multiple validated 3D QSAR approachesAmit Kumar Halder, Sk. Abdul Amin, Tarun Jha, Shovanlal Gayen · 2017 · SAR and QSAR in environmental research
- Computational Methods to Predict ToxicityM Cronin, Miyoung Yoon · 2018 · Elsevier eBooks
- QSAR in natural non-peptidic food-related compounds: Current status and future perspectiveYi Chen Zhao, Yuting Xia, Yuandong Yu, Guizhao Liang · 2023 · Trends in Food Science & Technology
- Stepwise MLR and PCR QSAR study of the pharmaceutical activities of antimalarial 3-hydroxypyridinone agents using B3LYP/6-311++G** descriptorsLotfollah Saghaie, Hamidreza Sakhi, Hassan Sabzyan, Mohsen Shahlaei, Danial Shamshirian · 2012 · Medicinal Chemistry Research
- Improved Machine Learning Models for Predicting Selective CompoundsXia Ning, Michael A. Walters, George Karypis · 2011 · Journal of Chemical Information and Modeling
- A novel strategy to design latent ratiometric fluorescent pH probes based on self-assembled SNARF derivativesEiji Nakata, Yoshihiro Yukimachi, Yoshijiro Nazumi, Maki Uwate, Hideaki Maseda, Yoshihiro Uto, Toshihiro Hashimoto, Yasuko Okamoto, Hitoshi Hori, Takashi Morii · 2013 · RSC Advances
- Structure–Activity Relationships of 2‐Sufonylpyrimidines as Quorum‐Sensing Inhibitors to Tackle Biofilm Formation and eDNA Release of Pseudomonas aeruginosaAndreas Thomann, Christian Brengel, Carsten Börger, Dagmar Kail, Anke Steinbach, Martin Empting, Rolf W. Hartmann · 2016 · ChemMedChem
- Online resources for the prediction of biological activity of organic compoundsDmitry S. Druzhilovskiy, Anastasia V. Rudik, Dmitry A. Filimonov, Alexey A. Lagunin, Tatyana A. Gloriozova, Vladimir Poroikov · 2016 · Russian Chemical Bulletin
- The Evaluation of Pro-Cognitive and Antiamnestic Properties of Berberine and Magnoflorine Isolated from Barberry Species by Centrifugal Partition Chromatography (CPC), in Relation to QSAR ModellingWirginia Kukuła‐Koch, Marta Kruk-Słomka, Katarzyna E. Stępnik, Radosław Szalak, Grażyna Biała · 2017 · International Journal of Molecular Sciences
- CheminformaticsJörg K. Wegner, Aaron Sterling, Rajarshi Guha, Andreas Bender, Jean‐Loup Faulon, Janna Hastings, Noel M. O’Boyle, John P. Overington, Herman van Vlijmen, Egon Willighagen · 2012 · Communications of the ACM
- QSAR Treatment of Electronic Substituent Effects Using Frontier Orbital Theory and Topological ParametersJonathan J. Sullivan, A. Daniel Jones, Kenneth K. Tanji · 2000 · Journal of Chemical Information and Computer Sciences
- An atom counting and electrophilicity based QSTR approachPratim Kumar Chattaraj, Debesh Ranjan Roy, Santanab Giri, Sanchita Mukherjee, V. Subramanian, Ramakrishnan Parthasarathi, Patrick Bultinck, Sofie Van Damme · 2007 · Journal of Chemical Sciences
- Designing potential HDAC3 inhibitors to improve memory and learningSk. Abdul Amin, Nilanjan Adhikari, Tarun Jha, Balaram Ghosh · 2018 · Journal of Biomolecular Structure and Dynamics
- Ensemble machine learning to evaluate the in vivo acute oral toxicity and in vitro human acetylcholinesterase inhibitory activity of organophosphatesLiangliang Wang, Junjie Ding, Peichang Shi, Li Fu, Pan Li, Jia-Hao Tian, Dongsheng Cao, Hui Jiang, Xiaoqin Ding · 2021 · Archives of Toxicology
- An Index for Characterization of Natural and Non-Natural Amino Acids for PeptidomimeticsGuizhao Liang, Yonglan Liu, Bozhi Shi, Jun Wei Zhao, Jie Zheng · 2013 · PLoS ONE
- A New Nonlinear Equation for the Tissue/Blood Partition Coefficients of Neutral CompoundsHuabei Zhang · 2004 · Journal of Pharmaceutical Sciences
- Advances in quantitative structure–activity relationship models of antioxidantsKunal Roy, Indrani Mitra · 2009 · Expert Opinion on Drug Discovery
- Hydrophobicity versus electrophilicity: A new protocol toward quantitative structure–toxicity relationshipRanita Pal, Gourhari Jana, Shamik Sural, Pratim Kumar Chattaraj · 2018 · Chemical Biology & Drug Design
- Towards an alternative to nano-QSAR for nanoparticle toxicity ranking in case of small datasetsValérie Forest, Jean‐François Hochepied, Lara Leclerc, Adeline Trouvé, Khalil Abdelkebir, Gwendoline Sarry, Vincent Augusto, Jérémie Pourchez · 2019 · Journal of Nanoparticle Research
- Trends in computational molecular catalyst designAdemola Soyemi, Tibor Szilvási · 2021 · Dalton Transactions
- Whole-Molecule Calculation of Log P Based on Molar Volume, Hydrogen Bonds, and Simulated13C NMR SpectraLaura K. Schnackenberg, Richard D. Beger · 2005 · Journal of Chemical Information and Modeling
- Chemical Structure and Biological Activity on m-and p-Disubstituted Derivatives of BenzeneJ. KOPECKÝ, K. Boček, D Vlachova · 1965 · Nature
- Thermodynamics and membrane processesRoger A. Klein · 1982 · Quarterly Reviews of Biophysics
- Multivariate quantitative structure‐activity relationship (QSAR) methods which may be applied to pesticide researchDavid J. Livingstone · 1989 · Pesticide Science
- DFT-Machine Learning Approach for Accurate Prediction of pKaRobin Lawler, Yao-Hao Liu, Nessa Majaya, Omar Adel Allam, Hyunchul Ju, Jin Young Kim, Seung Soon Jang · 2021 · The Journal of Physical Chemistry A
- Quantitative structural assessments of potential meprin β inhibitors by non-linear QSAR approaches and validation by binding mode of interaction analysisSuvankar Banerjee, Sandip Kumar Baidya, Balaram Ghosh, Suvendu Nandi, Mahitosh Mandal, Tarun Jha, Nilanjan Adhikari · 2023 · New Journal of Chemistry
- Mixed ligand copper( ii )-diimine complexes of 2-formylpyridine- N 4 -phenylthiosemicarbazone: diimine co-ligands tune the in vitro nanomolar cytotoxicityRadhakrishnan Kartikeyan, Dhanashree Murugan, Tamilarasan Ajaykamal, Manikandan Varadhan, Loganathan Rangasamy, Marappan Velusamy, Mallayan Palaniandavar, Venugopal Rajendiran · 2023 · Dalton Transactions
- Quantitative structure–activity relationship analysis of aryl alkanol piperazine derivatives with antidepressant activitiesKexian Chen, Zuguang Li, Haiying Xie, Jianrong Gao, Jian‐Wei Zou · 2009 · European Journal of Medicinal Chemistry
- Multi-task learning with a natural metric for quantitative structure activity relationship learningNoureddin Sadawi, Iván Olier, Joaquin Vanschoren, Jan N. van Rijn, Jérémy Besnard, Richard Bickerton, Crina Groşan, Larisa Soldatova, Ross D. King · 2019 · Journal of Cheminformatics
- Pyridinium cationic-dimer antimalarials, unlike chloroquine, act selectively between the schizont stage and the ring stage of Plasmodium falciparumMai Yoshikawa, Kazunori Motoshima, Kanji Fujimoto, Akihiro Tai, Hiroki Kakuta, Kenji Sasaki · 2008 · Bioorganic & Medicinal Chemistry
- Synthesis and QSAR Studies in 2-(N-aryl-N-aroyl)amino-4,5-dihydrothiazole Derivatives as Potential Antithrombotic AgentsAnil Kumar Saxena, Suresh K. Pandey, Pankaj Seth, Mukhtar Singh, Madhu Dikshit, A. Carpy · 2001 · Bioorganic & Medicinal Chemistry
- Partition coefficients of crown ethersTheodoras B. Stolwijk, Lambertus C. Vos, Ernst J. R. Sudhölter, David N. Reinhoudt · 1989 · Recueil des Travaux Chimiques des Pays-Bas
- Understanding human rhinovirus infections in terms of QSARRajeshwar P. Verma, Corwin H. Hansch · 2006 · Virology
- Artificial Intelligence in Drug Safety and MetabolismGraham F. Smith · 2021 · Methods in molecular biology
- In Silico ADME Techniques Used in Early-Phase Drug DiscoveryMatthew L. Danielson, Bingjie Hu, Jie Shen, Prashant V. Desai · 2017 · AAPS advances in the pharmaceutical sciences series
- Quantitative structure‐toxicity relationship: An “in silico study” using electrophilicity and hydrophobicity as descriptorsGourhari Jana, Ranita Pal, Shamik Sural, Pratim Kumar Chattaraj · 2019 · International Journal of Quantum Chemistry
- Development of quantitative structure-property relationship (QSPR) models for predicting the thermal hazard of ionic liquids: A review of methods and modelsJuncheng Jiang, Weijia Duan, Qian Wei, Xinyue Zhao, Lei Ni, Yong Liang Pan, Chi‐Min Shu · 2020 · Journal of Molecular Liquids
- Mathematical Modeling Approaches for Assessing the Joint Toxicity of Chemical Mixtures Based on Luminescent Bacteria: A Systematic ReviewDan Wang, Shan Wang, Linming Bai, Muhammad Salman Nasir, Shanshan Li, Wei Yan · 2020 · Frontiers in Microbiology
- QPHAR: quantitative pharmacophore activity relationship: method and validationStefan M. Kohlbacher, Thierry Langer, Thomas Seidel · 2021 · Journal of Cheminformatics
- MULTIVARIATE CHARACTERIZATION AND MODELING OF THE CHEMICAL REACTIVITY OF EPOXIDESLennart Eriksson, Henk J. M. Verhaar, Joop L. M. Hermens · 1994 · Environmental Toxicology and Chemistry
- Modelling the structure and function of enzymes by machine learningMichael J.E. Sternberg, Richard A. Lewis, Ross D. King, Stephen Muggleton · 1992 · Faraday Discussions
- Application of quantum topological molecular similarity descriptors in QSPR study of the O‐methylation of substituted phenolsBahram Hemmateenejad, Afshan Mohajeri · 2007 · Journal of Computational Chemistry
- Computer-Assisted Design of New Drugs Based on Retrometabolic ConceptsNicholas S. Bodor, Péter Buchwald, Ming‐Ju Huang · 1998 · SAR and QSAR in environmental research
- Enantioselective and Reversible Inhibition of Trypsin and .alpha.-Chymotrypsin by Phosphonate EstersQinjian Zhao, Ildiko M. Kovach, Ákos Bencsura, Adonia Papathanassiu · 1994 · Biochemistry
- Heterogeneous Hydration of p53/MDM2 ComplexZuojun Guo, Bo Li, Joachim Dzubiella, Li‐Tien Cheng, James Andrew McCammon, Jianwei Che · 2014 · Journal of Chemical Theory and Computation
- On Extended Topochemical Atom (ETA) Indices for QSPR StudiesKunal Roy, Rudra Narayan Das · 2011 · IGI Global eBooks
- Quantitative structure–activity relationship study of phloroglucinol-terpene adducts as anti-leishmanial agentsSandip Bibishan Bharate, Inder Pal Singh · 2011 · Bioorganic & Medicinal Chemistry Letters
- Development of multiple QSAR models for consensus predictions and unified mechanistic interpretations of the free-radical scavenging activities of chromone derivativesIndrani Mitra, Achintya Saha, Kunal Roy · 2011 · Journal of Molecular Modeling
- The “ETA” Indices in QSAR/QSPR/QSTR ResearchKunal Roy, Rudra Narayan Das · 2016 · IGI Global eBooks
- On the Virtues of Automated Quantitative Structure–Activity Relationship: The New Kid on the BlockMarcelo Tavares de Oliveira, Edson Katekawa · 2018 · Future Medicinal Chemistry
- Disruption of the Microtubule Network and Inhibition of VEGFR2 Phosphorylation by Cytotoxic N , O -Coordinated Pt(II) and Ru(II) Complexes of Trimethoxy Aniline-Based Schiff BasesSourav Acharya, Moumita Maji, Manas Pratim Chakraborty, Indira Bhattacharya, Rahul Das, Arnab Gupta, Arindam Mukherjee · 2021 · Inorganic Chemistry
- Semiempirical QSAR study and ligand receptor interaction of estrogensFarhan Ahmad Pasha, Hemant Kumar Srivastava, P. P. Singh · 2005 · Molecular Diversity
- Comparison of the effects of chloral hydrate and trichloroethanol on the EEG of the isolated perfused rat brainJ. Gr�ner, Josef Krieglstein, Hubert Rieger · 1973 · Naunyn-Schmiedeberg s Archives of Pharmacology
- Prediction of urinary sulphate and glucuronide conjugate excretion for substituted phenols in the rat using quantitative structure-metabolism relationshipsElaine C. Holmes, Brian C. Sweatman, Mary E. Bollard, Catherine A. Blackledge, Christopher R. Beddell, Ian D. Wilson, John C. Lindon, Jeremy Kirk Nicholson · 1995 · Xenobiotica
- Computergestütztes Moleküldesign (CAMD) – ein ÜberblickHorst Frühbeis, Robert W. Klein, Holger Wallmeier · 1987 · Angewandte Chemie
- Applications of various steric constants to quantitative analysis of structure-activity relationshipsToshio Fujita, Hajime Iwamura · 2007 · Springer eBooks
- Quantitative correlations between chemical structure and affinity for acetylcholine receptorsE.J. Lien, Everardus J. Ariëns, A. J. Beld · 1976 · European Journal of Pharmacology
- Recent Advances in Machine Learning Models for Predicting Toxicity of Inorganic NanoparticlesMingli Li, Qiao-Zhi Li, Yuliang Zhao, Xingfa Gao · 2025 · Chem & Bio Engineering
- Quantitative Structure–Toxicity Relationship in Bioactive Molecules from a Conceptual DFT PerspectiveRanita Pal, Shanti G. Patra, Pratim Kumar Chattaraj · 2022 · Pharmaceuticals
- Machine learning-based approach for efficient prediction of toxicity of chemical gases using feature selectionAhmet Murat Erturan, Gül Karaduman, Habibe Durmaz · 2023 · Journal of Hazardous Materials
- Transforming personalized chronic pain management with artificial intelligence: A commentary on the current landscape and future directionsStefano Casarin, Nele A.T Haelterman, Keren Machol · 2024 · Experimental Neurology
- Synthesis, structure elucidation, determination of the lipophilicity and identification of antitumour activities in vitro of novel 3-(2-furanyl)-8-aryl-7,8-dihydroimidazo[2,1-c][1,2,4]triazin-4(6H)-ones with a low cytotoxicity towards normal human skin fibroblast cellsKrzysztof Sztanke, Tomasz Tuzimski, Małgorzata Sztanke, Jolanta Rzymowska, Kazimierz Pasternak · 2011 · Bioorganic & Medicinal Chemistry