Abstract of the paper presented at The First International Symposium for Chinese Medicinal
(ISCMC 1998 Taipei), July 19-23, 1998, Taipei

High Throughput Screening, Molecular Assessment and Preservation Strategies

Shu-Kun Lin

Molecular Diversity Preservation International (MDPI)
Saengergasse 25, CH-4054 Basel, Switzerland
Tel. 0041 79 322 3379, Fax 0041 61 302 8918
Email: lin@mdpi.org URL: http://www.mdpi.org/lin/

With the development of high throughput screening technology in recent years, the acquisition of chemical samples by samples collection and combinatorial synthesis now become the bottleneck in the process of new drug discovery.

A new pairwise similarity formula has been defined and used for molecular diversity assessment based on a novel method. The logarithmic relations of entropy and similarity give the expected diversity values which decrease with the increase in species similarities [1,2].

Molecular diversity consists both chemical information and chemical substances of molecules. Chemists contribute not only new knowledge but also new substances. However, more than 90% of compounds recorded in literature exist only on paper; they were discarded by chemists. The high quality of a chemical library relies on the distinct differences of both the structures and properties of the collected samples [1,2]. These compounds in isolated form are traditionally and still routinely prepared in the laboratories and isolated from natural sources. Among other strategies, the first chemistry journal Molecules (visit http://www.mdpi.org/molecule/) was launched in 1995 to encourage authors to deposit their compound samples at MDPI center in Switzerland of the nonprofit organization MDPI and distribute free of charge or at reasonable prices worldwide. This samples deposit and exchange project has been supported by several other international chemistry journals (visit the website http://www.mdpi.org/forum.htm). The idea [3] of this program is to supply both chemical information as well as the chemical substances themselves, and to preserve chemical samples for drug discovery.


1. S.-K. Lin, Molecular Diversity Assessment: Logarithmic Relations of Information and Species Diversity and Logarithmic Relations of Entropy and Indistinguishability after Rejection of Gibbs Paradox of Entropy of Mixing. Molecules 1996, 1, 57-67.

2. S.-K. Lin, Molecular diversity assessment and information theory. 215th ACS National Meeting, Dallas, March 29-April 2 (1998), COMP-180.

3. S.-K. Lin, Guide to the Deposit of and Exchange of Compound Samples. 212th acs National Meeting, Orlando, Florida, August 25-29, 1996. See also http://www.mdpi.org/lin/lin-co.htm for other conference presentations.