QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping von Škuta, C., Cortés-Ciriano, I., Dehaen, W., Kříž, P., van Westen, G. J. P., Tetko, I. V., Bender, A., Svozil, D.

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Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information von Sushko, I, Pandey, AK, Novotarskyi, S, Körner, R, Rupp, M, Teetz, W, Brandmaier, S, Abdelaziz, A, Prokopenko, VV, Tanchuk, VY, Todeschini, R, Varnek, A, Marcou, G, Ertl, P, Potemkin, V, Grishina, M, Gasteiger, J, Baskin, II, Palyulin, VA, Radchenko, EV, Welsh, WJ, Kholodovych, V, Chekmarev, D, Cherkasov, A, Aires-de-Sousa, J, Zhang, Q-Y, Bender, A, Nigsch, F, Patiny, L, Williams, A, Tkachenko, V, Tetko, IV

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Parvalbumin deficiency affects network properties resulting in increased susceptibility to epileptic seizures von Schwaller, B, Tetko, I.V, Tandon, P, Silveira, D.C, Vreugdenhil, M, Henzi, T, Potier, M.-C, Celio, M.R, Villa, A.E.P

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QSAR without borders von Muratov, Eugene N, Bajorath, Jürgen, Sheridan, Robert P, Tetko, Igor V, Filimonov, Dmitry, Poroikov, Vladimir, Oprea, Tudor I, Baskin, Igor I, Varnek, Alexandre, Roitberg, Adrian, Isayev, Olexandr, Curtalolo, Stefano, Fourches, Denis, Cohen, Yoram, Aspuru-Guzik, Alan, Winkler, David A, Agrafiotis, Dimitris, Cherkasov, Artem, Tropsha, Alexander

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Dopamine modulation of glutamate metabotropic receptors in conditioned reaction of sensory motor cortex neurons of the cat von Storozhuk, V.M, Khorevin, V.I, Rozumna, N.M, Villa, A.E.P, Tetko, I.V

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Applications of neural networks in structure-activity relationships of a small number of molecules von Tetko, I. V, Luik, A. I, Poda, G. I

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Dopamine modulation of activity of cat sensorimotor cortex neurons during conditioned reflexes von Storozhuk, V.M, Khorevin, V.I, Rozumna, N.M, Villa, A.E.P, Tetko, I.V

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Beware of proper validation of models for ionic Liquids von Makarov, D.M., Fadeeva, Yu.A., Shmukler, L.E., Tetko, I.V.

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Volume Learning Algorithm Artificial Neural Networks for 3D QSAR Studies von Tetko, Igor V, Kovalishyn, Vasyl V, Livingstone, David J

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Data modelling with neural networks: advantages and limitations von Livingstone, D J, Manallack, D T, Tetko, I V

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Can we estimate the accuracy of ADME–Tox predictions? von Tetko, Igor V., Bruneau, Pierre, Mewes, Hans-Werner, Rohrer, Douglas C., Poda, Gennadiy I.

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Different tonic regulation of neuronal activity in the rat dorsal raphe and medial prefrontal cortex via 5-HT1A receptors von HAJOS, M, HOFFMANN, W. E, TETKO, I. V, HYLAND, B, SHARP, T, VILLA, A. E. P

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Prediction of partition coefficient based on atom‐type electrotopological state indices von Huuskonen, Jarmo J., Villa, Alessandro E.P., Tetko, Igor V.

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Associative Neural Network von Tetko, Igor V.

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Gene selection from microarray data for cancer classification—a machine learning approach von Wang, Yu, Tetko, Igor V., Hall, Mark A., Frank, Eibe, Facius, Axel, Mayer, Klaus F.X., Mewes, Hans W.

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Spike separation based on symmetries analysis in phase space von A. I. Polyarush, A. S. Makarenko, I. V. Tetko

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QSAR-derived affinity fingerprints von Skuta, C, Cortés-Ciriano, I, Dehaen, W, KÅíz, P, van Westen, G. J. P, Tetko, I. V, Bender, A, Svozil, D

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MAD-GAN: Multivariate Anomaly Detection for Time Series Data with Generative Adversarial Networks von Li, Dan, Chen, Dacheng, Jin, Baihong, Shi, Lei, Goh, Jonathan, Ng, See-Kiong

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A Transformer Model for Retrosynthesis von Karpov, Pavel, Godin, Guillaume, Tetko, Igor V.

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Pharmaceutical Fingerprinting in Phase Space. 1. Construction of Phase Fingerprints von Aksenova, Tatjana I, Tetko, Igor V, Ivakhnenko, Alexey G, Villa, Alessandro E. P, Welsh, William J, Zielinski, Walter L

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