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Effective Solutions
Diseases–targets–ligands relationships, mechanisms of drug action, drug indications & repurposing, safety
& risk assessment.
Way2Drug portal is developed and supported by the multidisciplinary team of researchers working in bioinformatics, chemoinformatics and computer-aided drug discovery for about thirty years. We have proposed the local correspondence concept, according which biological activity of drug-like organic compound is based on the molecular recognition between the particular atoms of the ligand and the target. Using this concept, we have developed a consistent system of atom-centered neighborhoods of atoms descriptors including MNA (Filimonov et al., 1999), QNA (Filimonov et al., 2009), and LMNA (Rudik et al., 2014), and have implemented them in several SAR/QSAR/QSPR modeling approaches.
Recent News
Meet with the members of Way2Drug Team
at the ITEM seminar that will be held in Fraunhofer-Institut für Toxikologie und Experimentelle Medizin, Hannover, Germany, at 14:00 on April 27, 2017. Prof. Dr. Vladimir Poroikov: "OUR EXPERIENCE IN COMPUTER-AIDED DRUG DISCOVERY: METHODS AND APPLICATIONS". (Link)Meet with the members of Way2Drug Team
at the 3rd Kazan Summer School on Chemoinformatics, which is held in Kazan, Russia, on June 5, 2017. Prof. Dr. Vladimir Poroikov: "Way2Drug Cheminformatics Platform for Drug Repurposing". (PDF)Citation
PASS Online
最特殊的結業生當屬「侏羅紀世界」女主角布萊絲達拉斯霍華,她暗示很小就越級就讀紐約大學,但中間為了演藝事業停擺,本年終於畢業,總共花了21年時候,非分特別愛護保重得來不容易的學位。圖/摘自Instagram
About us
而今阿中部長前去墾丁協助推行旅行有成,黃偉哲力邀防疫團隊到訪談台南,25日薄暮確定,本周六(5/30)將南下。而今阿中部長前往墾丁協助推行旅行有成,黃偉哲力邀防疫團隊到訪談台南,25日薄暮確定,本周六(5/30)將南下。系統櫃設計 台中系統櫃工廠防疫新生涯,阿中部長的下一站,肯定前去台南,先前五一勞動節連假,台南有27個景點被列入交通部1968APP的監測點,市長黃偉哲多次回響反映示意,相較於其他縣市,台南受傷較重,進展增加的監測點多放一點在北部。
- Drug Repurposing
- PASS Online (All Activities)
- PASS Online (Effects)
- PASS Online (Mechanisms)
- PASS Online (Metabolism)
- PASS Online (Transport)
- PASS Online (Adverse Effects & Toxicity)
- ROSC-Pred (carcinogenicity prediction)
- SOMP (Site of Metabolism Prediction)
- GUSAR (Antitargets)
- GUSAR (Acute Rat Toxicity)
- GUSAR (Environmental Toxicity)
- DIGEP-Pred (mRNA Level - Protein Level)
- CLC-Pred (Cell-Line Cytotoxicity Predictor)
台南市長黃偉哲晚間在臉書宣布:「向敬愛的鄉親陳訴:在偉哲的誠摯約請下,陳時中部長已肯定於本週六(5/30),前來台南協助行銷觀光。」陳時中也證實,確切有收到台南市長黃偉哲的邀約。