This book focuses on the theoretical problems associated with
molecular diversity as it is being applied in the pharmaceutical industry. Therefore, this book deals with algorithms that are involved in understanding chemical space and selection of diverse sets of structures. The algorithms also deal with the problem of focused diversity where chemical libraries are being created within a structured physical volume. Diversity is necessarily
connected to combinational chemistry, although this book is limited to the application of diversity methods to combinational chemistry and does not deal with
synthetic methods. It is this focus on algorithms and strategies for exploiting molecular diversity…
