Baidu
map

药械

订阅

MedSci主页 / 所有栏目 / 药械

俄罗斯研究人员尝试利用神经网络研发新药

2017-03-13 佚名 科技部

神经网络新药
关注

来自俄罗斯 Mail.ru 集团、Insilico Medicine 医药公司、莫斯科物理技术学院的研究人员首次尝试利用神经网络研制新的药物。他们试图教会神经网络“思考”并创造出新的分子结构，进而生成一些新的有前景的药物成分。该研究结果发表在《Оncotarget》杂志上。

来自俄罗斯 Mail.ru 集团、Insilico Medicine 医药公司、莫斯科物理技术学院的研究人员首次尝试利用神经网络研制新的药物。他们试图教会神经网络“思考”并创造出新的分子结构，进而生成一些新的有前景的药物成分。该研究结果发表在《Оncotarget》杂志上。


目前人类已知由无机分子构成的物质有上亿种，而这些物质中仅有少量被用于医学。例如，药理学家对已使用多年的阿司匹林进行持续的研究，通过部分改变阿司匹林分子结构，降低其副作用或者提高药效，生产新的药品。

如何从上亿物质中筛选出具有疗效的物质？Insilico Medicine 医药公司及莫斯科物理技术学院的研究人员于 2016 年初开始尝试借助于神经网络完成这个任务，随着研究的深入，研究人员已不仅仅通过神经网络筛选药品成分，而且尝试教会神经网络制造出新的分子结构，从而创造出新的有效药物成分。

研究人员采用了一种竞争性自动编码构架，这是一种网络深入学习新途径的扩充，即用已知疗效的分子结构作为学习教具，将这些已知疗效的分子结构信息输入神经网络，在神经网络学习了大量的此类分子结构信息之后，神经网络开始自动尝试生成分子结构。

版权声明：
本网站所有内容来源注明为“梅斯医学”或“MedSci原创”的文字、图片和音视频资料，版权均属于梅斯医学所有。非经授权，任何媒体、网站或个人不得转载，授权转载时须注明来源为“梅斯医学”。其它来源的文章系转载文章，或“梅斯号”自媒体发布的文章，仅系出于传递更多信息之目的，本站仅负责审核内容合规，其内容不代表本站立场，本站不负责内容的准确性和版权。如果存在侵权、或不希望被转载的媒体或个人可与我们联系，我们将立即进行删除处理。
在此留言
评论区 (5)
#插入话题
  1. [GetPortalCommentsPageByObjectIdResponse(id=1907471, encodeId=e92b190e471ab, content=<a href='/topic/show?id=379fe3364c9' target=_blank style='color:#2F92EE;'>#研究人员#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=63, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=73364, encryptionId=379fe3364c9, topicName=研究人员)], attachment=null, authenticateStatus=null, createdAvatar=, createdBy=db5b227, createdName=gostraight, createdTime=Mon Jun 26 04:10:00 CST 2017, time=2017-06-26, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=1299991, encodeId=c69f1299991ba, content=<a href='/topic/show?id=ed5ee332423' target=_blank style='color:#2F92EE;'>#研发#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=51, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=73324, encryptionId=ed5ee332423, topicName=研发)], attachment=null, authenticateStatus=null, createdAvatar=, createdBy=aea0290, createdName=lqvr, createdTime=Wed Mar 15 00:10:00 CST 2017, time=2017-03-15, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=1630344, encodeId=e6f816303443c, content=<a href='/topic/show?id=44e0e449217' target=_blank style='color:#2F92EE;'>#神经网络#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=61, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=74492, encryptionId=44e0e449217, topicName=神经网络)], attachment=null, authenticateStatus=null, createdAvatar=null, createdBy=e6ff21497204, createdName=by2016, createdTime=Wed Mar 15 00:10:00 CST 2017, time=2017-03-15, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=179774, encodeId=c35e1e977401, content=开眼界了，科技真是日新月异啊！, beContent=null, objectType=article, channel=null, level=null, likeNumber=92, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://wx.qlogo.cn/mmopen/mStl88fu4NdicLmdJEK9VoiaDianY6fzHNN9iaGv80m39pMHU3eSnNN0kn1o0rdQ7Bz2f03Qibcf1ia7rKvxIt4UVlErF2d4gCmDC5/0, createdBy=98e31740255, createdName=cqykthl, createdTime=Tue Mar 14 08:37:47 CST 2017, time=2017-03-14, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=179534, encodeId=fbd31e9534b5, content=文章真好，值得分享, beContent=null, objectType=article, channel=null, level=null, likeNumber=93, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://wx.qlogo.cn/mmopen/jW482SpianMayicTRbRZ5RzdAIB7UwTkHt6fQkBP8ictliaXtc5gCUmYdAW1sAETC2nhO3q6YjRHkUibyOCtP8ibmXNObTyd63A076/0, createdBy=d4111948983, createdName=1e10c84am36(暂无匿称), createdTime=Mon Mar 13 09:18:14 CST 2017, time=2017-03-13, status=1, ipAttribution=)]
    2017-06-26 gostraight

    #研究人员#

    0

  2. [GetPortalCommentsPageByObjectIdResponse(id=1907471, encodeId=e92b190e471ab, content=<a href='/topic/show?id=379fe3364c9' target=_blank style='color:#2F92EE;'>#研究人员#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=63, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=73364, encryptionId=379fe3364c9, topicName=研究人员)], attachment=null, authenticateStatus=null, createdAvatar=, createdBy=db5b227, createdName=gostraight, createdTime=Mon Jun 26 04:10:00 CST 2017, time=2017-06-26, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=1299991, encodeId=c69f1299991ba, content=<a href='/topic/show?id=ed5ee332423' target=_blank style='color:#2F92EE;'>#研发#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=51, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=73324, encryptionId=ed5ee332423, topicName=研发)], attachment=null, authenticateStatus=null, createdAvatar=, createdBy=aea0290, createdName=lqvr, createdTime=Wed Mar 15 00:10:00 CST 2017, time=2017-03-15, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=1630344, encodeId=e6f816303443c, content=<a href='/topic/show?id=44e0e449217' target=_blank style='color:#2F92EE;'>#神经网络#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=61, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=74492, encryptionId=44e0e449217, topicName=神经网络)], attachment=null, authenticateStatus=null, createdAvatar=null, createdBy=e6ff21497204, createdName=by2016, createdTime=Wed Mar 15 00:10:00 CST 2017, time=2017-03-15, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=179774, encodeId=c35e1e977401, content=开眼界了，科技真是日新月异啊！, beContent=null, objectType=article, channel=null, level=null, likeNumber=92, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://wx.qlogo.cn/mmopen/mStl88fu4NdicLmdJEK9VoiaDianY6fzHNN9iaGv80m39pMHU3eSnNN0kn1o0rdQ7Bz2f03Qibcf1ia7rKvxIt4UVlErF2d4gCmDC5/0, createdBy=98e31740255, createdName=cqykthl, createdTime=Tue Mar 14 08:37:47 CST 2017, time=2017-03-14, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=179534, encodeId=fbd31e9534b5, content=文章真好，值得分享, beContent=null, objectType=article, channel=null, level=null, likeNumber=93, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://wx.qlogo.cn/mmopen/jW482SpianMayicTRbRZ5RzdAIB7UwTkHt6fQkBP8ictliaXtc5gCUmYdAW1sAETC2nhO3q6YjRHkUibyOCtP8ibmXNObTyd63A076/0, createdBy=d4111948983, createdName=1e10c84am36(暂无匿称), createdTime=Mon Mar 13 09:18:14 CST 2017, time=2017-03-13, status=1, ipAttribution=)]
    2017-03-15 lqvr

    #研发#

    0

  3. [GetPortalCommentsPageByObjectIdResponse(id=1907471, encodeId=e92b190e471ab, content=<a href='/topic/show?id=379fe3364c9' target=_blank style='color:#2F92EE;'>#研究人员#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=63, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=73364, encryptionId=379fe3364c9, topicName=研究人员)], attachment=null, authenticateStatus=null, createdAvatar=, createdBy=db5b227, createdName=gostraight, createdTime=Mon Jun 26 04:10:00 CST 2017, time=2017-06-26, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=1299991, encodeId=c69f1299991ba, content=<a href='/topic/show?id=ed5ee332423' target=_blank style='color:#2F92EE;'>#研发#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=51, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=73324, encryptionId=ed5ee332423, topicName=研发)], attachment=null, authenticateStatus=null, createdAvatar=, createdBy=aea0290, createdName=lqvr, createdTime=Wed Mar 15 00:10:00 CST 2017, time=2017-03-15, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=1630344, encodeId=e6f816303443c, content=<a href='/topic/show?id=44e0e449217' target=_blank style='color:#2F92EE;'>#神经网络#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=61, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=74492, encryptionId=44e0e449217, topicName=神经网络)], attachment=null, authenticateStatus=null, createdAvatar=null, createdBy=e6ff21497204, createdName=by2016, createdTime=Wed Mar 15 00:10:00 CST 2017, time=2017-03-15, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=179774, encodeId=c35e1e977401, content=开眼界了，科技真是日新月异啊！, beContent=null, objectType=article, channel=null, level=null, likeNumber=92, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://wx.qlogo.cn/mmopen/mStl88fu4NdicLmdJEK9VoiaDianY6fzHNN9iaGv80m39pMHU3eSnNN0kn1o0rdQ7Bz2f03Qibcf1ia7rKvxIt4UVlErF2d4gCmDC5/0, createdBy=98e31740255, createdName=cqykthl, createdTime=Tue Mar 14 08:37:47 CST 2017, time=2017-03-14, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=179534, encodeId=fbd31e9534b5, content=文章真好，值得分享, beContent=null, objectType=article, channel=null, level=null, likeNumber=93, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://wx.qlogo.cn/mmopen/jW482SpianMayicTRbRZ5RzdAIB7UwTkHt6fQkBP8ictliaXtc5gCUmYdAW1sAETC2nhO3q6YjRHkUibyOCtP8ibmXNObTyd63A076/0, createdBy=d4111948983, createdName=1e10c84am36(暂无匿称), createdTime=Mon Mar 13 09:18:14 CST 2017, time=2017-03-13, status=1, ipAttribution=)]
    2017-03-15 by2016

    #神经网络#

    0

  4. [GetPortalCommentsPageByObjectIdResponse(id=1907471, encodeId=e92b190e471ab, content=<a href='/topic/show?id=379fe3364c9' target=_blank style='color:#2F92EE;'>#研究人员#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=63, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=73364, encryptionId=379fe3364c9, topicName=研究人员)], attachment=null, authenticateStatus=null, createdAvatar=, createdBy=db5b227, createdName=gostraight, createdTime=Mon Jun 26 04:10:00 CST 2017, time=2017-06-26, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=1299991, encodeId=c69f1299991ba, content=<a href='/topic/show?id=ed5ee332423' target=_blank style='color:#2F92EE;'>#研发#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=51, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=73324, encryptionId=ed5ee332423, topicName=研发)], attachment=null, authenticateStatus=null, createdAvatar=, createdBy=aea0290, createdName=lqvr, createdTime=Wed Mar 15 00:10:00 CST 2017, time=2017-03-15, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=1630344, encodeId=e6f816303443c, content=<a href='/topic/show?id=44e0e449217' target=_blank style='color:#2F92EE;'>#神经网络#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=61, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=74492, encryptionId=44e0e449217, topicName=神经网络)], attachment=null, authenticateStatus=null, createdAvatar=null, createdBy=e6ff21497204, createdName=by2016, createdTime=Wed Mar 15 00:10:00 CST 2017, time=2017-03-15, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=179774, encodeId=c35e1e977401, content=开眼界了，科技真是日新月异啊！, beContent=null, objectType=article, channel=null, level=null, likeNumber=92, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://wx.qlogo.cn/mmopen/mStl88fu4NdicLmdJEK9VoiaDianY6fzHNN9iaGv80m39pMHU3eSnNN0kn1o0rdQ7Bz2f03Qibcf1ia7rKvxIt4UVlErF2d4gCmDC5/0, createdBy=98e31740255, createdName=cqykthl, createdTime=Tue Mar 14 08:37:47 CST 2017, time=2017-03-14, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=179534, encodeId=fbd31e9534b5, content=文章真好，值得分享, beContent=null, objectType=article, channel=null, level=null, likeNumber=93, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://wx.qlogo.cn/mmopen/jW482SpianMayicTRbRZ5RzdAIB7UwTkHt6fQkBP8ictliaXtc5gCUmYdAW1sAETC2nhO3q6YjRHkUibyOCtP8ibmXNObTyd63A076/0, createdBy=d4111948983, createdName=1e10c84am36(暂无匿称), createdTime=Mon Mar 13 09:18:14 CST 2017, time=2017-03-13, status=1, ipAttribution=)]
    2017-03-14 cqykthl

    开眼界了，科技真是日新月异啊！

    0

  5. [GetPortalCommentsPageByObjectIdResponse(id=1907471, encodeId=e92b190e471ab, content=<a href='/topic/show?id=379fe3364c9' target=_blank style='color:#2F92EE;'>#研究人员#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=63, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=73364, encryptionId=379fe3364c9, topicName=研究人员)], attachment=null, authenticateStatus=null, createdAvatar=, createdBy=db5b227, createdName=gostraight, createdTime=Mon Jun 26 04:10:00 CST 2017, time=2017-06-26, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=1299991, encodeId=c69f1299991ba, content=<a href='/topic/show?id=ed5ee332423' target=_blank style='color:#2F92EE;'>#研发#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=51, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=73324, encryptionId=ed5ee332423, topicName=研发)], attachment=null, authenticateStatus=null, createdAvatar=, createdBy=aea0290, createdName=lqvr, createdTime=Wed Mar 15 00:10:00 CST 2017, time=2017-03-15, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=1630344, encodeId=e6f816303443c, content=<a href='/topic/show?id=44e0e449217' target=_blank style='color:#2F92EE;'>#神经网络#</a>, beContent=null, objectType=article, channel=null, level=null, likeNumber=61, replyNumber=0, topicName=null, topicId=null, topicList=[TopicDto(id=74492, encryptionId=44e0e449217, topicName=神经网络)], attachment=null, authenticateStatus=null, createdAvatar=null, createdBy=e6ff21497204, createdName=by2016, createdTime=Wed Mar 15 00:10:00 CST 2017, time=2017-03-15, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=179774, encodeId=c35e1e977401, content=开眼界了，科技真是日新月异啊！, beContent=null, objectType=article, channel=null, level=null, likeNumber=92, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://wx.qlogo.cn/mmopen/mStl88fu4NdicLmdJEK9VoiaDianY6fzHNN9iaGv80m39pMHU3eSnNN0kn1o0rdQ7Bz2f03Qibcf1ia7rKvxIt4UVlErF2d4gCmDC5/0, createdBy=98e31740255, createdName=cqykthl, createdTime=Tue Mar 14 08:37:47 CST 2017, time=2017-03-14, status=1, ipAttribution=), GetPortalCommentsPageByObjectIdResponse(id=179534, encodeId=fbd31e9534b5, content=文章真好，值得分享, beContent=null, objectType=article, channel=null, level=null, likeNumber=93, replyNumber=0, topicName=null, topicId=null, topicList=[], attachment=null, authenticateStatus=null, createdAvatar=https://wx.qlogo.cn/mmopen/jW482SpianMayicTRbRZ5RzdAIB7UwTkHt6fQkBP8ictliaXtc5gCUmYdAW1sAETC2nhO3q6YjRHkUibyOCtP8ibmXNObTyd63A076/0, createdBy=d4111948983, createdName=1e10c84am36(暂无匿称), createdTime=Mon Mar 13 09:18:14 CST 2017, time=2017-03-13, status=1, ipAttribution=)]
    2017-03-13 1e10c84am36(暂无匿称)

    文章真好，值得分享

    0

相关资讯

递归神经网络（RNNs）在机器深度学习中的奇妙应用

递归神经网络（RNNs）有一些不可思议的地方。从花几十分钟训练我的第一个婴儿模型（相当随意挑选的超参数）开始，到训练出能够针对图像给出有意义描述的模型。有些时候，模型对于输出结果质量的简单程度的比例，会与你的期望相差甚远，而这还仅仅是其中一点。有如此令人震惊结果，许多人认为是因为RNNs非常难训练（事实上，通过多次试验，我得出了相反的结论）。一年前：我一直在训练RNNs，我多次见证了它们的强大

Transl Psychiat：自闭症或有新疗法

       近日发表于《转化精神病学》杂志[Translational Psychiatry (2012) 2, e202]的一项临床试验显示：一种通常用于加速排尿的药物改善了自闭症儿童的某些症状。        自闭症是一种以沟通和社交障碍、以及重复行为为特征的神经发育

重磅！神经网络从入门到精通——从神经元到深度学习

图1 人脑神经网络 神经网络是一门重要的机器学习技术。它是目前最为火热的研究方向–深度学习的基础。学习神经网络不仅可以让你掌握一门强大的机器学习方法，同时也可以更好地帮助你理解深度学习技术。 本文以一种简单的，循序的方式讲解神经网络。适合对神经网络了解不多的同学。本文对阅读没有一定的前提要求，但是懂一些机器学习基础会更好地帮助理解本文。 神经网络是一种模拟人脑的神经网络以期能够实现类

Stroke：胆碱能通路和神经网络受损可能导致血管性痴呆

背景：神经网络在卒中后痴呆的的作用尚不清楚。研究人员提出假说：卒中所致皮层下胆碱能通路或大型神经网络受损引起卒中后痴呆。方法：在急性缺血性卒中患者中进行一项配对病例对照研究。卒中后3个月，应用韩国血管性认知障碍的统一标准评估患者是否发生痴呆，新近发生的痴呆患者为病例组。按照年龄，教育程度以及卒中的严重程度对痴呆患者进行配对，一个痴呆患者对应两个对照组患者。应用胆碱能通路高信号评分评估患者是否因急性

PNAS：失神发作的新型疗法

韩国研究人员已经成功地揭示了人类大脑的神经网络原理机制，这将为失神发作的潜在治疗方法提供一个重要线索。 失神发作被认为由调节钙离子流入的大脑丘脑网状核中T型钙离子通道引起的。这些通道使丘脑网状核神经元形成放电模式，导致神经元进入一种过度受激发状态。 为了确定放电模式和失神发作之间的关系，研究人员进行了一项实验使用基因打靶技术剔除T型钙离子通道CaV3.3诱导小鼠失神发作。结果表明，小鼠获

训练神经网络的五大算法

神经网络模型的每一类学习过程通常被归纳为一种训练算法。训练的算法有很多，它们的特点和性能各不相同。 问题的抽象 人们把神经网络的学习过程转化为求损失函数f的最小值问题。一般来说，损失函数包括误差项和正则项两部分。误差项衡量神经网络模型在训练数据集上的拟合程度，而正则项则是控制模型的复杂程度，防止出现过拟合现象。 损失函数的函数值由模型的参数（权重值和偏置值）所决定。我们可以把两部分参

Baidu
map
Baidu
map
Baidu
map