Citations (34)
Keep up to date with the latest research on this topic with citation updates for this article.
Read on this site (11)
Meenakshi Duhan, Jayant Sindhu, Parvin Kumar, Meena Devi, Rahul Singh, Ramesh Kumar, Sohan Lal, Ashwani Kumar, Sudhir Kumar & Khalid Hussain. (2022) Quantitative structure activity relationship studies of novel hydrazone derivatives as α-amylase inhibitors with index of ideality of correlation. Journal of Biomolecular Structure and Dynamics 40:11, pages 4933-4953.
Read now
Read now
Ashwani Kumar, Kiran Bagri, Manisha Nimbhal & Parvin Kumar. (2021) In silico exploration of the fingerprints triggering modulation of glutaminyl cyclase inhibition for the treatment of Alzheimer’s disease using SMILES based attributes in Monte Carlo optimization. Journal of Biomolecular Structure and Dynamics 39:18, pages 7181-7193.
Read now
Read now
Meenakshi Duhan, Rahul Singh, Meena Devi, Jayant Sindhu, Rimpy Bhatia, Ashwani Kumar & Parvin Kumar. (2021) Synthesis, molecular docking and QSAR study of thiazole clubbed pyrazole hybrid as α-amylase inhibitor. Journal of Biomolecular Structure and Dynamics 39:1, pages 91-107.
Read now
Read now
P. Kumar & A. Kumar. (2020) In silico enhancement of azo dye adsorption affinity for cellulose fibre through mechanistic interpretation under guidance of QSPR models using Monte Carlo method with index of ideality correlation. SAR and QSAR in Environmental Research 31:9, pages 697-715.
Read now
Read now
Parvin Kumar & Ashwani Kumar. (2020) Nucleobase sequence based building up of reliable QSAR models with the index of ideality correlation using Monte Carlo method. Journal of Biomolecular Structure and Dynamics 38:11, pages 3296-3306.
Read now
Read now
V. Stoičkov, S. Šarić, M. Golubović, D. Zlatanović, D. Krtinić, L. Dinić, B. Mladenović, D. Sokolović & A.M. Veselinović. (2018) Development of non-peptide ACE inhibitors as novel and potent cardiovascular therapeutics: An in silico modelling approach. SAR and QSAR in Environmental Research 29:7, pages 503-515.
Read now
Read now
S. Bhargava, N. Adhikari, S. A. Amin, K. Das, S. Gayen & T. Jha. (2017) Hydroxyethylamine derivatives as HIV-1 protease inhibitors: a predictive QSAR modelling study based on Monte Carlo optimization. SAR and QSAR in Environmental Research 28:12, pages 973-990.
Read now
Read now
Andrey A. Toropov, Alla P. Toropova, Francesca Como & Emilio Benfenati. (2017) Quantitative structure–activity relationship models for bee toxicity. Toxicological & Environmental Chemistry 99:7-8, pages 1117-1128.
Read now
Read now
A. Kumar & S. Chauhan. (2017) Monte Carlo method based QSAR modelling of natural lipase inhibitors using hybrid optimal descriptors. SAR and QSAR in Environmental Research 28:3, pages 179-197.
Read now
Read now
V. Prachayasittikul, A. Worachartcheewan, A. P. Toropova, A. A. Toropov, N. Schaduangrat, V. Prachayasittikul & C. Nantasenamat. (2017) Large-scale classification of P-glycoprotein inhibitors using SMILES-based descriptors. SAR and QSAR in Environmental Research 28:1, pages 1-16.
Read now
Read now
A. Paternò, G. Bocci, G. Cruciani, C. G. Fortuna, L. Goracci, S. Sciré & G. Musumarra. (2016) Cyto- and enzyme toxicities of ionic liquids modelled on the basis of VolSurf+ descriptors and their principal properties. SAR and QSAR in Environmental Research 27:3, pages 221-244.
Read now
Read now
Articles from other publishers (23)
Alla P. Toropova, Andrey A. Toropov, Alessandra Roncaglioni & Emilio Benfenati. (2023) Using the Correlation Intensity Index to Build a Model of Cardiotoxicity of Piperidine Derivatives. Molecules 28:18, pages 6587.
Crossref
Crossref
Md. Moinul, Samima Khatun, Sk. Abdul Amin, Tarun Jha & Shovanlal Gayen. 2023. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES
269
294
.
Mohammad Badhruddouza Khan, Rahat Shahrior, Ramisa Tasnia Asha & Pranto Soumik Saha. (2021) Predicting AXL Inhibition of Chemicals using Molecular Descriptors and Machine Learning Methods. Predicting AXL Inhibition of Chemicals using Molecular Descriptors and Machine Learning Methods.
Meenakshi Duhan, Parvin Kumar, Jayant Sindhu, Rahul Singh, Meena Devi, Ashwani Kumar, Ramesh Kumar & Sohan Lal. (2021) Exploring biological efficacy of novel benzothiazole linked 2,5-disubstituted-1,3,4-oxadiazole hybrids as efficient α-amylase inhibitors: Synthesis, characterization, inhibition, molecular docking, molecular dynamics and Monte Carlo based QSAR studies. Computers in Biology and Medicine 138, pages 104876.
Crossref
Crossref
Danna De Boer, Nguyet Nguyen, Jia Mao, Jessica Moore & Eric J. Sorin. (2021) A Comprehensive Review of Cholinesterase Modeling and Simulation. Biomolecules 11:4, pages 580.
Crossref
Crossref
Ashwani Kumar & Parvin Kumar. (2020) Identification of good and bad fragments of tricyclic triazinone analogues as potential PKC-θ inhibitors through SMILES–based QSAR and molecular docking. Structural Chemistry 32:1, pages 149-165.
Crossref
Crossref
Andrey A. Toropov & Alla P. Toropova. (2020) Correlation intensity index: Building up models for mutagenicity of silver nanoparticles. Science of The Total Environment 737, pages 139720.
Crossref
Crossref
Kiran Bagri, Ashwani Kumar, Manisha & Parvin Kumar. (2020) Computational Studies on Acetylcholinesterase Inhibitors: From Biochemistry to Chemistry. Mini-Reviews in Medicinal Chemistry 20:14, pages 1403-1435.
Crossref
Crossref
Andrey A. Toropov & Alla P. Toropova. (2020) QSPR/QSAR: State-of-Art, Weirdness, the Future. Molecules 25:6, pages 1292.
Crossref
Crossref
Anurag T. K. Baidya, Kalyan Ghosh, Sk. Abdul Amin, Nilanjan Adhikari, Jayabalan Nirmal, Tarun Jha & Shovanlal Gayen. (2020)
In silico
modelling, identification of crucial molecular fingerprints, and prediction of new possible substrates of human organic cationic transporters 1 and 2
. New Journal of Chemistry 44:10, pages 4129-4143.
Crossref
Crossref
Alina Bora, Luminita Crisan, Ana Borota, Simona Funar-Timofei & Gheorghe Ilia. 2020. Ecotoxicological QSARs. Ecotoxicological QSARs
513
544
.
Andrey A. Toropov & Alla P. Toropova. (2019) QSAR as a random event: criteria of predictive potential for a chance model. Structural Chemistry 30:5, pages 1677-1683.
Crossref
Crossref
Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Danuta Leszczynska & Jerzy Leszczynski. (2019) Virtual Screening of Anti-Cancer Compounds: Application of Monte Carlo Technique. Anti-Cancer Agents in Medicinal Chemistry 19:2, pages 148-153.
Crossref
Crossref
Nikola Minovski, Melek Türker Saçan, Elif Merve Eminoğlu, Safiye Sağ Erdem & Marjana Novič. (2019) Revisiting fish toxicity of active pharmaceutical ingredients: Mechanistic insights from integrated ligand-/structure-based assessments on acetylcholinesterase. Ecotoxicology and Environmental Safety 170, pages 548-558.
Crossref
Crossref
Ashwani Kumar & Shilpi Chauhan. (2018) Use of Simplified Molecular Input Line Entry System and molecular graph based descriptors in prediction and design of pancreatic lipase inhibitors. Future Medicinal Chemistry 10:13, pages 1603-1622.
Crossref
Crossref
Andrey A. Toropov & Alla P. Toropova. (2017) The index of ideality of correlation: A criterion of predictive potential of QSPR/QSAR models?. Mutation Research/Genetic Toxicology and Environmental Mutagenesis 819, pages 31-37.
Crossref
Crossref
Alla P. Toropova & Andrey A. Toropov. (2017) Hybrid optimal descriptors as a tool to predict skin sensitization in accordance to OECD principles. Toxicology Letters 275, pages 57-66.
Crossref
Crossref
Alla P. Toropova & Andrey A. Toropov. (2017) The index of ideality of correlation: A criterion of predictability of QSAR models for skin permeability?. Science of The Total Environment 586, pages 466-472.
Crossref
Crossref
Kang Chang, Jian-Qin Chen, Yan-Xia Shi, Mei-Jian Sun, Peng-Fei Li, Zhen-Jiang Zhao, Wei-Ping Zhu, Hong-Lin Li, Yu-Fang Xu, Bao-Ju Li & Xu-Hong Qian. (2017) The discovery of new scaffold of plant activators: From salicylic acid to benzotriazole. Chinese Chemical Letters 28:4, pages 919-926.
Crossref
Crossref
Alla P. Toropova, Andrey A. Toropov, Aleksandar M. Veselinović, Jovana B. Veselinović, Danuta Leszczynska & Jerzy Leszczynski. (2016)
Monte Carlo–based quantitative structure–activity relationship models for toxicity of organic chemicals to
Daphnia magna
. Environmental Toxicology and Chemistry 35:11, pages 2691-2697.
Crossref
Crossref
David Ebuka Arthur, Adamu Uzairu, Paul Mamza & Stephen Abechi. (2016) Quantitative structure–activity relationship study on potent anticancer compounds against MOLT-4 and P388 leukemia cell lines. Journal of Advanced Research 7:5, pages 823-837.
Crossref
Crossref
Saw Simeon, Nuttapat Anuwongcharoen, Watshara Shoombuatong, Aijaz Ahmad Malik, Virapong Prachayasittikul, Jarl E.S. Wikberg & Chanin Nantasenamat. (2016) Probing the origins of human acetylcholinesterase inhibition via QSAR modeling and molecular docking. PeerJ 4, pages e2322.
Crossref
Crossref
Xiaodong Gao, Liping Han & Yujie Ren. (2016) In Silico Exploration of 1,7-Diazacarbazole Analogs as Checkpoint Kinase 1 Inhibitors by Using 3D QSAR, Molecular Docking Study, and Molecular Dynamics Simulations. Molecules 21:5, pages 591.
Crossref
Crossref