MOESM1 of Consensus Diversity Plots: a global diversity analysis of chemical libraries

Additional file 1: Table S1. Scaffold diversity using scaled Shannon entropy at different numbers of most populated scaffolds. Table S2. Summary of the intra-library similarity distributions computed with Extended Connectivity/Tanimoto. Figure S1. Definition of molecular scaffold used in this work. Figure S2. Consensus Diversity Plots for the eight data sets and two subsets studied in this work using Extended Connectivity/Tanimoto. Figure S3. Consensus Diversity Plots using measures of scaffold diversity for the most populated scaffolds

MOESM1 of Database fingerprint (DFP): an approach to represent molecular databases

Additional file 1:Table S1. DFPs of representative data sets used in this work. Table S2. Inter-set relationship computed with the newly developed database fingerprint using DFP/Tanimoto coefficient. Fig. S1 Distributions of MACCS keys (166-bits) of selected data sets studied in this work (others are shown in the main text). Fig. S2 Visual representation of the distance matrix comparing inter-set relationships of the compound data sets computed with the database fingerprint (DFP) and city block distance. Fig. S3 Relationship between inverse normalized city block distance and Tanimoto similarity using the DFP. Fig. S4 Inter-set relationships of the compound data sets computed with MACCS keys and the Tanimoto coefficient. Fig. S5 Relationship between mean similarities computed with MACCS keys and DFP. Fig. S6 Relationship Shannon Entropy and DFP/Tanimoto similarity and k-mean Euclidean clustering for the ten compound data sets in Table 2 at threshold of 0.6. Fig. S7 Probability distribution of the 198 significant bit positions recovered from the original databases represented by PubChem fingerprint at threshold of 0.6.Fig. S8 Relationship Shannon Entropy and DFP/Tanimoto similarity and k-mean Euclidean clustering for the ten compound data sets in Table 2 at threshold of 0.7. Fig. S9 Probability distribution of the 198 significant bit positions recovered from the original databases represented by PubChem fingerprint at threshold of 0.7

Petr Chaadaev's reflection about Russian's destinies through the example of his first philosophical letter, Russian Empire, history

In this following work we will look into the views of the great Russian thinker of the first part of XIX century, Petr YakovlevichChaadaev on the destiny of Russia and its connection to the general European development. The research is happening with connection to historical events and social ideals, that were typical for this particular epoch, also using the biographical facts and authors literary work. Particular attention is being paid to : The Westernizer movement, The Slavophiles, The Masonic order, The Patriotic War of 1812 and the Revolt of the Decembrists. Chaadaev's thoughts are being analyzed on the example of the First Philosophic Letter. The author of this work is trying to establish whether the thoughts and writings of philosopher Chaadaev about historical development and the mission of the big Eurasian State that are being addressed to the future generations are still relevant

Additional file 4: Figure S1. of Statistical correlation of nonconservative substitutions of HIV gp41 variable amino acid residues with the R5X4 HIV-1 phenotype

Gp41 coordinates - Homology model (PDB 598 kb