摘要:
The present application is directed to the use of computerized data processing to plan, perform, and assess the results of high-throughput screening of multicomponent chemical compositions and solid forms of compounds. Systems utilized include databases of molecular descriptors and related compounds and their properties as determined empirically and through simulation, along with multidimensional visualization tools. Methods include methods for determining chemical compositions by performing steps including selecting a plurality of combinations of values of experimental parameters that can be varied by an automated experiment apparatus, determining a set of experimental results, and determining a second plurality of combinations of values based on the set of experimental results. Additional methods include selecting values of parameters that produce a composition, the values being relatively far from areas of rapid change or boundaries between solid forms.
摘要:
The present invention relates to computer-controlled automated high-throughput systems and/or computer-program products to design, prepare, process, and analyze a large number of samples having experimental formulations each containing a compound of interest formulated with differing component combinations and varying concentrations and component identities. The computer-controlled methods of the present invention allow determination of the effects of additional or inactive components, such as excipients, carriers, enhancers, adhesives, additives, and the like, on the compound of interest, such as pharmaceuticals. The invention thus encompasses the computer systems, computer methods, and computer-program products for computer-controlled automated high-throughput testing of pharmaceutical compositions or formulations in order to determine the overall optimal composition or formulation for an intended use or purpose.
摘要:
The present invention relates in part to compounds of formulas I and III: and pharmaceutically-acceptable salts and prodrugs thereof. These compounds can be useful for treating diseases such as inflammatory and immune diseases. The present invention also relates to pharmaceutical compositions comprising these compounds, and to methods of inhibiting inflammation or suppressing immune response in a subject.
摘要:
The present invention relates to modulators of IRAK kinase and provides compositions comprising such modulators, as well as methods therewith for treating conditions or diseases mediated by or associated with IRAK kinase.