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Yu-Ming Chu, Mehwish Hussain Muhammad, Abdul Rauf, Muhammad Ishtiaq & Muhammad Kamran Siddiqui. (2022) Topological Study of Polycyclic Graphite Carbon Nitride. Polycyclic Aromatic Compounds 42:6, pages 3203-3215.
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S.C. Basak, B.D. Gute & D. Mills. (2002) Quantitative molecular similarity analysis (QMSA) methods for property estimation: A comparison of property-based, arbitrary, and tailored similarity spaces. SAR and QSAR in Environmental Research 13:7-8, pages 727-742.
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Articles from other publishers (23)
Yoan Martínez-López, Yovani Marrero-Ponce, Stephen J. Barigye, Enrique Teran, Oscar Martínez-Santiago, Cesar H. Zambrano & F. Javier Torres. (2019) When global and local molecular descriptors are more than the sum of its parts: Simple, But Not Simpler?. Molecular Diversity 24:4, pages 913-932.
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Lalitha Simon, Abdelli Imane, K. K. Srinivasan, Lokesh Pathak & I. Daoud. (2016) In Silico Drug-Designing Studies on Flavanoids as Anticolon Cancer Agents: Pharmacophore Mapping, Molecular Docking, and Monte Carlo Method-Based QSAR Modeling. Interdisciplinary Sciences: Computational Life Sciences 9:3, pages 445-458.
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Amit Kumar Halder, Nilanjan Adhikary, Milan Kumar Maity & Tarun Jha. (2010) Synthesis, pharmacological activity and comparative QSAR modeling of 1,5-N,N′-substituted-2-(substituted naphthalenesulphonyl) glutamamides as possible anticancer agents. European Journal of Medicinal Chemistry 45:5, pages 1760-1771.
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Amit K. Halder, Nilanjan Adhikari & Tarun Jha. (2010) Structural Findings of 2-Phenylindole-3-Carbaldehyde Derivatives for Antimitotic Activity by FA-sMLR QSAR Analysis. Chemical Biology & Drug Design 75:2, pages 204-213.
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Roberto Todeschini & Viviana Consonni. 2009. Molecular Descriptors for Chemoinformatics. Molecular Descriptors for Chemoinformatics
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Harish Dureja & Anil Kumar Madan. (2009) Predicting Anti-HIV Activity of Dimethylaminopyridin-2-ones: Computational Approach using Topochemical Descriptors. Chemical Biology & Drug Design 73:2, pages 258-270.
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Andreas Bender, Jeremy L. Jenkins, Josef Scheiber, Sai Chetan K. Sukuru, Meir Glick & John W. Davies. (2009) How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space. Journal of Chemical Information and Modeling 49:1, pages 108-119.
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Subhash C. Basak, Denise Mills, Brian D. Gute & Ramanathan Natarajan. 2006. QSAR and Molecular Modeling Studies in Heterocyclic Drugs I. QSAR and Molecular Modeling Studies in Heterocyclic Drugs I
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Marjan Vracko & Subhash C. Basak. (2004) Similarity study of proteomic maps. Chemometrics and Intelligent Laboratory Systems 70:1, pages 33-38.
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Subhash C Basak, Brian D Gute, Denise Mills & Douglas M Hawkins. (2003) Quantitative molecular similarity methods in the property/toxicity estimation of chemicals: a comparison of arbitrary versus tailored similarity spaces. Journal of Molecular Structure: THEOCHEM 622:1-2, pages 127-145.
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Lionello Pogliani. 2002. Topology in Chemistry. Topology in Chemistry
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Subhash C. Basak, Denise R. Mills, Alexandru T. Balaban & Brian D. Gute. (2000) Prediction of Mutagenicity of Aromatic and Heteroaromatic Amines from Structure: A Hierarchical QSAR Approach. Journal of Chemical Information and Computer Sciences 41:3, pages 671-678.
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Milan Randić & Matevž Pompe. (2001)
The Variable Connectivity Index
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χ
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Roberto Todeschini & Viviana Consonni. 2000. Handbook of Molecular Descriptors. Handbook of Molecular Descriptors
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Subhash C. Basak, Alexandru T. Balaban, Gregory D. Grunwald & Brian D. Gute. (2000) Topological Indices: Their Nature and Mutual Relatedness. Journal of Chemical Information and Computer Sciences 40:4, pages 891-898.
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Subhash C. Basak, Gregory D. Grunwald, Brian D. Gute, Krishnan Balasubramanian & David Opitz. (2000) Use of Statistical and Neural Net Approaches in Predicting Toxicity of Chemicals. Journal of Chemical Information and Computer Sciences 40:4, pages 885-890.
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Ivan Gutman, Oswaldo Araujo & Daniel A. Morales. (1999) Bounds for the Randić Connectivity Index. Journal of Chemical Information and Computer Sciences 40:3, pages 593-598.
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