Overview of DrugSig.

<p>(A) Browsing the entire database by drugs. (B) A snapshot of the page of drug detail. (C) Searching the database by six options.</p

A case study for how to use signature based drug repositioning function.

<p>(A) The input interface. (B) The computing interface.</p

The web interface of CRDB.

<p>A) Snapshot of the CRDB home page. B) Result of phylogenetic tree of primate T1R genes.</p

Number of chemosensory receptor genes in vertebrates.

<p>The numbers of each bar represent the number of functional (intact) and pseudogenes of OR, TAAR, V1R, V2R, T1R and T2R genes. The blue and orange bars represent the number of functional genes and pseudogenes, respectively.</p

A demonstration for target based drug repositioning function.

<p>(A) The input interface. (B) Partial results of target based drug repositioning.</p

DrugSig architecture.

<p>After collecting raw data, we processed them into seven tables in MySql and developed functions to compute drug repositioning by up and down list.</p

Results of signature based drug repositioning.

<p>(A) The drug list for signature based drug repositioning. (B) The gene list for each calculated drug.</p

Thermodynamics in Separation for the Ternary System 1,2-Ethanediol + 1,2-Propanediol + 2,3-Butanediol

The thermodynamic data in distillation, i.e., isobaric vapor–liquid equilibrium data, have been measured for the three binary systems of 1,2-ethanediol + 1,2-propanediol, 1,2-ethanediol + 2,3-butanediol, and 1,2-propanediol + 2,3-butanediol at 101.3 kPa. The accuracy of the experimental data was confirmed by both Herington test and Van Ness test. The thermodynamic properties of the vapor phase have been calculated with the Hayden–O’Connell equation in consideration of nonideality. The liquid activity coefficients have been satisfactorily correlated with the Wilson, NRTL, and UNIQUAC models, while the estimated results from the UNIFAC model are not satisfactory. The corresponding binary interaction parameters of the three models Wilson, NRTL, and UNIQUAC were calculated and used to obtain the residual curves of the ternary system 1,2-ethanediol + 1,2-propanediol + 2,3-butanediol. Based on all of the preceding results, a two-column distillation process has been designed to obtain the required products