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Abstracts Keynote & Plenary

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Profile-profile alignment may be the most sensitive and useful computational resource for identifying<br />

remote homologies and recognizing protein folds. However, profile-profile alignment is usually much<br />

more sophisticated on algorithm and slower on time than sequence-sequence or profile-sequence<br />

alignment. The profile or PSSM (position-specific scoring matrix) can be used to represent the<br />

mutational variability at each sequence position of a protein by using a vector of amino acid<br />

substitution frequencies and it is a much richer encoding of protein sequences. Consensus sequence,<br />

can be considered as the simplified profile, was used early to improve sequence alignment. Recently,<br />

several studies were carried on to improve Psiblast remotely related protein identification performance<br />

by using the alignment between Psiblast profile and consensus sequences (profile-consensus alignment).<br />

There are several ways can be used to compute consensus residues at each position of a sequence<br />

which capture different information of a profile. Based on this observation, we propose a method that<br />

combined the information of different type of consensus sequences and profiles<br />

with the assistance of support vector machine learning, and results suggest that our<br />

method can further<br />

improve Psiblast fold recognition performance. In addition, we also compared the fold recognition<br />

ability of our method with COMPASS.<br />

Keywords: Psiblast, consensus sequence, profile, SVM<br />

OR-014<br />

Human Oral<br />

Bioavailability Prediction of Four Kinds of Drugs<br />

Aixia Yan Zhi Wang, Meng Meng<br />

Corresponding author phone: +86-10-64421335;<br />

fax: +86-10-64416428;<br />

E-mail: aixia_yan@yahoo.com or yanax@mail.buct.edu.cn<br />

State Key Laboratory of Chemical Resource Engineering, Department of Pharmaceutical Engineering,<br />

P.O. Box 53, Beijing University of Chemical Technology, 15 BeiSanHuan East Road, Beijing 100029,<br />

P. R. China.<br />

In this work, four<br />

quantitative bioavailability prediction models were built for four kinds of drugs using<br />

MLR (Multiple Linear Regression). For the model of Angiotensin Converting Enzyme Inhibitors or<br />

Angiotensin Ⅱ Receptor Antagonists, correlation coefficient r=0.91, MAE (Mean absolute error)<br />

=5.97; for the model of Calcium Channel Blockers, r=0.98, MAE =2.93; for the model of Sodium and<br />

Potasium Channels Blockers, r=0.97, MAE =6.29; and for the model of Quinolone Antimicrobial<br />

Agents, r=0.91, MAE =6.72. Explorations into subsets of compounds were performed and good<br />

quantitative relationship can be built for these four kinds of drugs which were considered have same<br />

pharmacological activity.<br />

Keywords: Human Oral Bioavailability,<br />

Multiple Linear Regression (MLR), Absorption, Distribution,<br />

Metabolism, and Excretion (ADME)<br />

OR-015<br />

Prediction of directly regulated genes of transcription factors important for ascidian early<br />

development<br />

Xuyang Yuan1, 2, Atsushi Kubo3, Yutaka Satou3, Kenta Nakai1, 2, 4<br />

1. Department of Computer Science, Graduate School of Information<br />

Science and Technology,<br />

University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan.<br />

2. Human Genome Center, Institute of Medical Science, University of Tokyo, 4-6-1 Shirokanedai,<br />

Minato-ku, Tokyo 108-8639, Japan.<br />

3. Department of Zoology, Graduate School<br />

of Science, Kyoto University, Kitashirakawa -Oiwake-cho,<br />

Sakyo-ku, Kyoto 606-8502, Japan.

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