Third International School-Seminar "From Empirical to Predictive Chemistry" (April 5-7, 2018, Kazan, Russia): book of abstracts / ed. T.I. Madzhidov, V.A. Afonina, I.S. Antipinсборник

Статьи, опубликованные в сборнике

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• • 2018 Application of Deep Learning Neural Networks in Chemoinformatics: Advantages and Prospects
  • Baskin I.I.
  • в сборнике Third International School-Seminar "From Empirical to Predictive Chemistry" (April 5-7, 2018, Kazan, Russia): book of abstracts / ed. T.I. Madzhidov, V.A. Afonina, I.S. Antipin, место издания Kazan University Press Kazan, тезисы, с. 11
• • 2018 Assessment of tautomer distribution using the condensed reaction graph approach
  • Gimadiev T.R., Madzhidov T.I., Nugmanov R.I., Baskin I.I., Antipin I.S., Varnek A.
  • в сборнике Third International School-Seminar "From Empirical to Predictive Chemistry" (April 5-7, 2018, Kazan, Russia): book of abstracts / ed. T.I. Madzhidov, V.A. Afonina, I.S. Antipin, место издания Kazan University Press Kazan, тезисы, с. 45
• • 2018 Bridging the gap: combining the QM/MM and QTAIM in search of dominating interactions in biological systems
  • Хренова М.Г., Цирельсон В.Г.
  • в сборнике Third International School-Seminar "From Empirical to Predictive Chemistry" (April 5-7, 2018, Kazan, Russia): book of abstracts / ed. T.I. Madzhidov, V.A. Afonina, I.S. Antipin, место издания Kazan University Press Kazan, тезисы, с. 21-21
• • 2018 Machine Learning Methods to Find Atom-to-Atom Mapping in Reactions
  • Khayrullina A., Madzhidov T., Nugmanov R., Baskin I., Varnek A.
  • в сборнике Third International School-Seminar "From Empirical to Predictive Chemistry" (April 5-7, 2018, Kazan, Russia): book of abstracts / ed. T.I. Madzhidov, V.A. Afonina, I.S. Antipin, место издания Kazan University Press Kazan, тезисы, с. 50
• • 2018 Model That Could Simultaneously Learn Tautomeric Equilibrium And Activity Constants
  • Zankov D.V., Madzhidov T.I., Sattarov B.B., Baskin I.I., Varnek A.A.
  • в сборнике Third International School-Seminar "From Empirical to Predictive Chemistry" (April 5-7, 2018, Kazan, Russia): book of abstracts / ed. T.I. Madzhidov, V.A. Afonina, I.S. Antipin, место издания Kazan University Press Kazan, тезисы, с. 70
• • 2018 Predicting Rate Constant of Bimolecular Nucleophilic Substitution Reactions by Means of CGR Approach
  • Gimadiev T.R., Madzhidov T.I., Nugmanov R.I., Casciuc I.V., Klimchuk O., Baskin I.I., Antipin I.S., Varnek A.A.
  • в сборнике Third International School-Seminar "From Empirical to Predictive Chemistry" (April 5-7, 2018, Kazan, Russia): book of abstracts / ed. T.I. Madzhidov, V.A. Afonina, I.S. Antipin, место издания Kazan University Press Kazan, тезисы, с. 34
• • 2018 THE ISIDA_NB PROGRAM: CONSENSUS NAÏVE BAYESIAN MODELING ON FRAGMENT DESCRIPTORS
  • Solov'ev V., Varnek A., Marcou G.
  • в сборнике Third International School-Seminar "From Empirical to Predictive Chemistry" (April 5-7, 2018, Kazan, Russia): book of abstracts / ed. T.I. Madzhidov, V.A. Afonina, I.S. Antipin, место издания Kazan University Press Kazan, тезисы, с. 22-22
• • 2018 Tautomeric Equilibria: Modeling and Visualization
  • Glavatskikh M., Madzhidov T., Baskin I., Horvath D., Nugmanov R., Gimadiev T., Marcou G., Varnek A.
  • в сборнике Third International School-Seminar "From Empirical to Predictive Chemistry" (April 5-7, 2018, Kazan, Russia): book of abstracts / ed. T.I. Madzhidov, V.A. Afonina, I.S. Antipin, место издания Kazan University Press Kazan, тезисы, с. 46
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  • 2018 The estimation and application of fragments' contribution to the ligand binding energy
  • Ivanov N., Shulga D., Palyulin V.
  • в сборнике Third International School-Seminar "From Empirical to Predictive Chemistry" (April 5-7, 2018, Kazan, Russia): book of abstracts / ed. T.I. Madzhidov, V.A. Afonina, I.S. Antipin, место издания Kazan University Press Kazan, тезисы