MX2015007778A - Prediccion de bioactivacion molecular. - Google Patents

Prediccion de bioactivacion molecular.

Info

Publication number
MX2015007778A
MX2015007778A MX2015007778A MX2015007778A MX2015007778A MX 2015007778 A MX2015007778 A MX 2015007778A MX 2015007778 A MX2015007778 A MX 2015007778A MX 2015007778 A MX2015007778 A MX 2015007778A MX 2015007778 A MX2015007778 A MX 2015007778A
Authority
MX
Mexico
Prior art keywords
prediction
bioactivation
molecular
molecular bioactivation
metabolites
Prior art date
Application number
MX2015007778A
Other languages
English (en)
Inventor
Kevin A Ford
Original Assignee
Genentech Inc
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Genentech Inc filed Critical Genentech Inc
Publication of MX2015007778A publication Critical patent/MX2015007778A/es

Links

Classifications

    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures

Landscapes

  • Chemical & Material Sciences (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Investigating Or Analysing Biological Materials (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
  • Measuring Or Testing Involving Enzymes Or Micro-Organisms (AREA)

Abstract

La presente invención se relaciona con métodos para predecir la bioactivación molecular, reactividad y toxicidad de compuestos y sus metabolitos.
MX2015007778A 2012-12-18 2013-12-17 Prediccion de bioactivacion molecular. MX2015007778A (es)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
US201261738751P 2012-12-18 2012-12-18
PCT/US2013/075581 WO2014099862A1 (en) 2012-12-18 2013-12-17 Prediction of molecular bioactivation

Publications (1)

Publication Number Publication Date
MX2015007778A true MX2015007778A (es) 2015-09-04

Family

ID=49920656

Family Applications (1)

Application Number Title Priority Date Filing Date
MX2015007778A MX2015007778A (es) 2012-12-18 2013-12-17 Prediccion de bioactivacion molecular.

Country Status (11)

Country Link
US (1) US20140172387A1 (es)
EP (1) EP2936358A1 (es)
JP (1) JP2016510310A (es)
KR (1) KR20150096737A (es)
CN (1) CN104995625A (es)
BR (1) BR112015014321A8 (es)
CA (1) CA2894697A1 (es)
HK (1) HK1216674A1 (es)
MX (1) MX2015007778A (es)
RU (1) RU2015123306A (es)
WO (1) WO2014099862A1 (es)

Families Citing this family (7)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
KR101586382B1 (ko) * 2013-07-15 2016-01-18 주식회사 엘지화학 분자 오비탈 유사성 편차 평가 방법 및 이를 이용한 시스템
CN106198847B (zh) * 2016-06-24 2018-10-26 重庆医科大学 关于新烟碱类杀虫剂水解反应活性的评价方法
US10726944B2 (en) 2016-10-04 2020-07-28 International Business Machines Corporation Recommending novel reactants to synthesize chemical products
WO2018152243A2 (en) * 2017-02-15 2018-08-23 Zymergen Inc. Bioreachable prediction tool
US12009066B2 (en) * 2019-05-22 2024-06-11 International Business Machines Corporation Automated transitive read-behind analysis in big data toxicology
CN110232953B (zh) * 2019-07-26 2023-05-02 中北大学 一种7-[4-(5-芳基-1,3,4-噁二唑)]哌嗪衍生物抗菌活性预估方法
CN112466406A (zh) * 2020-11-23 2021-03-09 中国科学院植物研究所 量子化学计算对环状有机物反应活性和致癌性的预测方法

Family Cites Families (7)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2004093234A (ja) * 2002-08-30 2004-03-25 Hitachi Ltd 毒性有無判定方法
US7904283B2 (en) * 2003-05-13 2011-03-08 The Penn State Research Foundation Quantum mechanics based method for scoring protein-ligand interactions
US20070219768A1 (en) * 2006-03-17 2007-09-20 Sean Ekins System and method for prediction of drug metabolism, toxicity, mode of action, and side effects of novel small molecule compounds
US20090260825A1 (en) * 2008-04-18 2009-10-22 Stanley Nemec Milam Method for recovery of hydrocarbons from a subsurface hydrocarbon containing formation
CN101787064B (zh) * 2009-01-23 2013-03-13 高峰 阿糖胞苷衍生物及其在抗癌抗肿瘤中的用途
US8889909B2 (en) * 2013-03-15 2014-11-18 Hunt Energy Enterprises, Llc Tunable photoactive compounds
US20150144198A1 (en) * 2013-11-26 2015-05-28 Michael D. IRWIN Solar cell materials

Also Published As

Publication number Publication date
US20140172387A1 (en) 2014-06-19
RU2015123306A (ru) 2017-01-24
JP2016510310A (ja) 2016-04-07
CA2894697A1 (en) 2014-06-26
HK1216674A1 (zh) 2016-11-25
BR112015014321A2 (pt) 2017-07-11
WO2014099862A1 (en) 2014-06-26
BR112015014321A8 (pt) 2019-10-15
CN104995625A (zh) 2015-10-21
KR20150096737A (ko) 2015-08-25
EP2936358A1 (en) 2015-10-28

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