|
Combinatorial Chemistry: A Strategy for the Future (2821 words) |
 | Combinatorial chemists will be able to meet their goals if they can find ways to plan libraries quickly, produce libraries that better interrogate biological assays, and learn from past screening results. |
| Enumeration of a parent library enables the researcher to produce structural representations of child libraries, or discrete compounds within the library. |
| Combinatorial chemists were trained on the prototype and asked to use the software in their daily routine. |
| Pseudo-random Sampling for Combinatorial Libraries (1305 words) |
| Combinatorial libraries, either specified by reactions or templates, and Markush structures are frequently used to represent thousands or even millions of molecular strcutures. |
| The enumeration (or random sampling) of combinatorial libraries is a frequent task in combinatorial library design. |
| Enumeration is often required to determine the ensemble properties of a virtual library, such as redundancy or "drug-likeness", distributions (or profiles) of rotatable bonds, molecular weight, ClogP or predicted binding energy. |
Feeds |
Contact