ライフサイエンスコーパス: cheminformatics

コーパス検索結果 (１語後でソート)

通し番号をクリックするとPubMedの該当ページを表示します

1 igh-throughput screening in combination with cheminformatics.

2 allows for efficient cross-vendor structural cheminformatics.

3 al toxicity testing results), the integrated cheminformatics algorithm will optimize the extracted bi

4 synthesis and the possibility of integrating cheminformatics and chemical space analyses with synthet

5 It provides a web interface to a set of cheminformatics and data mining tools that are useful fo

6 these targets in Mtb using a combination of cheminformatics and in vitro screening.

7 ine learning algorithms is in line with many cheminformatics applications, with SVM and RF being roug

8 of AR and VR contents for bioinformatics and cheminformatics applications.

9 nuum of modern experimental toxicology using cheminformatics approaches and big data sources.

10 te chemical information and biological data, cheminformatics approaches for mapping the extracted che

11 bility mass spectrometry in conjunction with cheminformatics-based data integration and visualization

12 Cheminformatics-based software tools can predict the mol

13 owledge, provides the first demonstration of cheminformatics-based, complement-directed drug discover

14 The software incorporates advanced cheminformatics capabilities such as chemical structure

15 In this study, we have employed a cheminformatics drug discovery approach based on the ext

16 he need for specialized computer science and cheminformatics expertise.

17 ks and data analysis, bringing complimentary cheminformatics functionality to the workflow environmen

18 Advances in the field of cheminformatics have been hindered by a lack of freely a

19 ChEMBL database, as well as the latest RDKit cheminformatics libraries.

20 ates theoretical insight, quantum chemistry, cheminformatics, machine learning, industrial expertise,

21 Typically, cheminformatics methods operate under the assumption tha

22 have additional chemical data, allowing for cheminformatics mining.

23 drug reactions of drugs with an established cheminformatics modeling method, we generate a data set

24 e and interoperability between complementary cheminformatics packages within the same framework, henc

25 s "virtual space" with real compounds.From a cheminformatics perspective, there is a clear demand for

26 We develop a cheminformatics pipeline that predicts receptor-odorant

27 A comparison with the cheminformatics plug-in RDKit shows that KNIME-CDK suppo

28 have created Chembench, a publicly available cheminformatics portal for analyzing experimental chemic

29 s a proof-of-principle, this high-throughput cheminformatics procedure was applied to the Arabidopsis

30 t from assigning an EC classification from a cheminformatics representation of a reaction.

31 ressing proteins and chemicals with a common cheminformatics representation.

32 data network, as well as across large public cheminformatics resources such as PubChem.

33 ptions to the raw notebook information using cheminformatics techniques.

34 oactivity data with open source database and cheminformatics technologies.

35 We review the evolution of cheminformatics, the amalgam of chemistry, computer scie

36 ity (VR) in the fields of bioinformatics and cheminformatics to visualize complex biological and chem

37 A workflow-based cheminformatics tool provides the advantage of ease-of-u

38 Such a "cheminformatics toolbox" would enable chemists and biolo

39 de in the lack of adequate computational and cheminformatics tools that are able to support the analy

40 nity and can be easily integrated with other cheminformatics tools.

41 identified through the integration of three cheminformatics tools: BinVestigate, which queries the B

WebLSDに未収録の専門用語（用法）は "新規対訳" から投稿できます。