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Novel molecular hybrid geometric-harmonic-Zagreb degree based descriptors and their efficacy in QSPR studies of polycyclic aromatic hydrocarbons
Arockiaraj, M., Paul, D., Clement, J., Tigga, S., Jacob, K., Balasubramanian, K.
Published in SAR and QSAR in environmental research (03.07.2023)
Published in SAR and QSAR in environmental research (03.07.2023)
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Assessing structural insights into in-house arylsulfonyl L-(+) glutamine MMP-2 inhibitors as promising anticancer agents through structure-based computational modelling approaches
Baidya, S.K., Banerjee, S., Ghosh, B., Jha, T., Adhikari, N.
Published in SAR and QSAR in environmental research (03.10.2023)
Published in SAR and QSAR in environmental research (03.10.2023)
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QSAR Toolbox - workflow and major functionalities
Dimitrov, S. D., Diderich, R., Sobanski, T., Pavlov, T. S., Chankov, G. V., Chapkanov, A. S., Karakolev, Y. H., Temelkov, S. G., Vasilev, R. A., Gerova, K. D., Kuseva, C. D., Todorova, N. D., Mehmed, A. M., Rasenberg, M., Mekenyan, O. G.
Published in SAR and QSAR in environmental research (03.03.2016)
Published in SAR and QSAR in environmental research (03.03.2016)
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Weighted Mostar indices as measures of molecular peripheral shapes with applications to graphene, graphyne and graphdiyne nanoribbons
Arockiaraj, M., Clement, J., Tratnik, N., Mushtaq, S., Balasubramanian, K.
Published in SAR and QSAR in environmental research (03.03.2020)
Published in SAR and QSAR in environmental research (03.03.2020)
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Chemometric methods in antimalarial drug design from 1,2,4,5-tetraoxanes analogues
Costa, E.B., Silva, R.C., Espejo-Román, J.M., Neto, M.F. de A., Cruz, J.N., Leite, F.H.A., Silva, C.H.T.P., Pinheiro, J.C., Macêdo, W.J.C., Santos, C.B.R.
Published in SAR and QSAR in environmental research (01.09.2020)
Published in SAR and QSAR in environmental research (01.09.2020)
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Applicability domain: towards a more formal definition
Hanser, T., Barber, C., Marchaland, J. F., Werner, S.
Published in SAR and QSAR in environmental research (01.11.2016)
Published in SAR and QSAR in environmental research (01.11.2016)
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Pinpointing prime structural attributes of potential MMP-2 inhibitors comprising alkyl/arylsulfonyl pyrrolidine scaffold: a ligand-based molecular modelling approach validated by molecular dynamics simulation analysis
Baidya, S.K., Banerjee, S., Ghosh, B., Jha, T., Adhikari, N.
Published in SAR and QSAR in environmental research (02.08.2024)
Published in SAR and QSAR in environmental research (02.08.2024)
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Evaluation of QSAR models for predicting mutagenicity: outcome of the Second Ames/QSAR international challenge project
Furuhama, A., Kitazawa, A., Yao, J., Matos dos Santos, C.E., Rathman, J., Yang, C., Ribeiro, J.V., Cross, K., Myatt, G., Raitano, G., Benfenati, E., Jeliazkova, N., Saiakhov, R., Chakravarti, S., Foster, R.S., Bossa, C., Battistelli, C. Laura, Benigni, R., Sawada, T., Wasada, H., Hashimoto, T., Wu, M., Barzilay, R., Daga, P.R., Clark, R.D., Mestres, J., Montero, A., Gregori-Puigjané, E., Petkov, P., Ivanova, H., Mekenyan, O., Matthews, S., Guan, D., Spicer, J., Lui, R., Uesawa, Y., Kurosaki, K., Matsuzaka, Y., Sasaki, S., Cronin, M.T.D., Belfield, S.J., Firman, J.W., Spînu, N., Qiu, M., Keca, J.M., Gini, G., Li, T., Tong, W., Hong, H., Liu, Z., Igarashi, Y., Yamada, H., Sugiyama, K.-I., Honma, M.
Published in SAR and QSAR in Environmental Research (02.12.2023)
Published in SAR and QSAR in Environmental Research (02.12.2023)
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Synthesis, biological evaluation and in silico studies of novel thiadiazole-hydrazone derivatives for carbonic anhydrase inhibitory and anticancer activities
Bostancı, H.E., Çevik, U.A., Kapavarapu, R., Güldiken, Y.C., Inan, Z.D.Ş., Güler, Ö.Ö., Uysal, T.K., Uytun, A., Çetin, F.N., Özkay, Y., Kaplancıklı, Z.A.
Published in SAR and QSAR in environmental research (03.07.2023)
Published in SAR and QSAR in environmental research (03.07.2023)
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Development of prediction model for fructose- 1,6- bisphosphatase inhibitors using the Monte Carlo method
Manisha, Chauhan, S., Kumar, P., Kumar, A.
Published in SAR and QSAR in environmental research (04.03.2019)
Published in SAR and QSAR in environmental research (04.03.2019)
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CORAL: Monte Carlo based global QSAR modelling of Bruton tyrosine kinase inhibitors using hybrid descriptors
Ahmadi, S., Lotfi, S., Afshari, S., Kumar, P., Ghasemi, E.
Published in SAR and QSAR in environmental research (02.12.2021)
Published in SAR and QSAR in environmental research (02.12.2021)
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Prediction of critical micelle concentration for per- and polyfluoroalkyl substances
Creton, B., Barraud, E., Nieto-Draghi, C.
Published in SAR and QSAR in environmental research (02.04.2024)
Published in SAR and QSAR in environmental research (02.04.2024)
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Analysing half-lives for pesticide dissipation in plants
Jacobsen, R.E., Fantke, P., Trapp, S.
Published in SAR and QSAR in environmental research (03.04.2015)
Published in SAR and QSAR in environmental research (03.04.2015)
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