Large arrays of hypothesis-driven, rationally designed experiments are powerful tools for solving complex chemical problems. Conceptual and practical aspects of chemical high-throughput experimentation are discussed. A case study in the application of high-throughput experimentation to a key synthetic step in a drug discovery program and subsequent optimization for the first large scale synthes...

Another critical part of eDiscovery is bridging the gap between the investigator (the person defining the searches) and the attorney on the case. While the investigator may have a thorough understanding of the search technology and how to perform effective searches, he lacks the domain and case knowledge the attorney has regarding what deems a document responsive. In addition, the content and l...

In this paper, we review AI research on computational discovery and its recent application to the discovery of new scientiic knowledge. We characterize ve historical stages of the scientiic discovery process , which we use as an organizational framework in describing applications. We also identify ve distinct steps during which developers or users can innuence the behavior of a computational di...

In this paper, we review AI research on computational discovery and its recent application to the discovery of new scienti"c knowledge. We characterize "ve historical stages of the scienti"c discovery process, which we use as an organizational framework in describing applications. We also identify "ve distinct steps during which developers or users can in#uence the behavior of a computational d...

High throughput screening has significantly contributed to advances in drug discovery. The great increase in the number of samples screened has been accompanied by increases in costs and in the data required for the investigated compounds. High throughput profiling addresses the issues of compound selectivity and specificity. It combines conventional screening with data mining technologies to g...

Cooperative binding effects pervade biology. Only a few basic principles are at play, but in different biological contexts cooperativity appears in distinct guises to achieve different ends. Here I discuss some of the manifestations of cooperativity that are most important in biology and drug discovery as they pertain to systems at different levels of complexity and also highlight aspects of th...

In the spring of 2012 an archaeological survey was conducted within the Rayen region in order to explore all the archaeological periods in this region and document all archaeological settlement patterns of this region. In general, 52 archaeological sites were discovered and documented which included all prehistoric and historic sites. Among these sites, three of them seem to belong to the Paleo...

Bioinorganic medicinal chemistry remains a hot field for research aimed at developing novel anti-cancer treatments. Discovery of metal complexes as potent antitumor chemotherapeutics such as cisplatin led to a significant shift of focus toward organometallic/ bioinorganic compounds containing transition metals and their chelates as novel scaffolds for drug discovery. In that way, transition met...