Literature DB >> 16995721

Lingos, finite state machines, and fast similarity searching.

J Andrew Grant1, James A Haigh, Barry T Pickup, Anthony Nicholls, Roger A Sayle.   

Abstract

We apply a recently published method of text-based molecular similarity searching (LINGO) to standard data sets for the purpose of quantifying the accuracy of the approach. Our implementation is based on a pattern-matching finite state machine (FSM) which results in fast search times. The accuracy of LINGO is demonstrated to be comparable to that of a path-based fingerprint and offers a simple yet effective method for similarity searching.

Mesh:

Substances:

Year:  2006        PMID: 16995721     DOI: 10.1021/ci6002152

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN: 1549-9596            Impact factor:   4.956


  15 in total

Review 1.  Methods for Similarity-based Virtual Screening.

Authors:  Thomas G Kristensen; Jesper Nielsen; Christian N S Pedersen
Journal:  Comput Struct Biotechnol J       Date:  2013-03-03       Impact factor: 7.271

2.  Foreign language translation of chemical nomenclature by computer.

Authors:  Roger Sayle
Journal:  J Chem Inf Model       Date:  2009-03       Impact factor: 4.956

3.  Analysis and use of fragment-occurrence data in similarity-based virtual screening.

Authors:  Shereena M Arif; John D Holliday; Peter Willett
Journal:  J Comput Aided Mol Des       Date:  2009-06-18       Impact factor: 3.686

4.  Drug discovery using very large numbers of patents: general strategy with extensive use of match and edit operations.

Authors:  Barry Robson; Jin Li; Richard Dettinger; Amanda Peters; Stephen K Boyer
Journal:  J Comput Aided Mol Des       Date:  2011-05-03       Impact factor: 3.686

5.  SIML: a fast SIMD algorithm for calculating LINGO chemical similarities on GPUs and CPUs.

Authors:  Imran S Haque; Vijay S Pande; W Patrick Walters
Journal:  J Chem Inf Model       Date:  2010-04-26       Impact factor: 4.956

6.  Symmetric kv1.5 blockers discovered by focused screening.

Authors:  Jonas Boström
Journal:  ACS Med Chem Lett       Date:  2012-08-16       Impact factor: 4.345

7.  Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database.

Authors:  Paul C D Hawkins; A Geoffrey Skillman; Gregory L Warren; Benjamin A Ellingson; Matthew T Stahl
Journal:  J Chem Inf Model       Date:  2010-04-26       Impact factor: 4.956

8.  LINGO-DL: a text-based approach for molecular similarity searching.

Authors:  Ammar Abdo; Maude Pupin
Journal:  J Comput Aided Mol Des       Date:  2021-04-02       Impact factor: 3.686

9.  PubChem3D: conformer ensemble accuracy.

Authors:  Sunghwan Kim; Evan E Bolton; Stephen H Bryant
Journal:  J Cheminform       Date:  2013-01-07       Impact factor: 5.514

10.  SARConnect: A Tool to Interrogate the Connectivity Between Proteins, Chemical Structures and Activity Data.

Authors:  Mats Eriksson; Ingemar Nilsson; Thierry Kogej; Christopher Southan; Martin Johansson; Christian Tyrchan; Sorel Muresan; Niklas Blomberg; Marcus Bjäreland
Journal:  Mol Inform       Date:  2012-08-07       Impact factor: 3.353

View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.