Literature DB >> 20329801

Cheminformatic tools for medicinal chemists.

Steven W Muchmore1, Jeremy J Edmunds, Kent D Stewart, Philip J Hajduk.   

Abstract

Mesh：

Year:  2010        PMID： 20329801     DOI： 10.1021/jm100164z

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


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  15 in total

Review 1.  The influence of the 'organizational factor' on compound quality in drug discovery.

Authors:  Paul D Leeson; Stephen A St-Gallay
Journal:  Nat Rev Drug Discov       Date:  2011-09-30       Impact factor: 84.694

2.  Focused enumeration and assessing the structural diversity of scaffold libraries: conformationally restricted bicyclic secondary diamines.

Authors:  Oleksandr O Grygorenko; Roman Prytulyak; Dmitriy M Volochnyuk; Volodymyr Kudrya; Oleksiy V Khavryuchenko; Igor V Komarov
Journal:  Mol Divers       Date:  2012-07-03       Impact factor: 2.943

3.  A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discovery.

Authors:  Ignacio Aliagas; Alberto Gobbi; Timothy Heffron; Man-Ling Lee; Daniel F Ortwine; Mark Zak; S Cyrus Khojasteh
Journal:  J Comput Aided Mol Des       Date:  2015-02-24       Impact factor: 3.686

4.  Computer-aided drug discovery research at a global contract research organization.

Authors:  Douglas B Kitchen
Journal:  J Comput Aided Mol Des       Date:  2016-11-01       Impact factor: 3.686

Review 5.  Computational drug discovery.

Authors:  Si-Sheng Ou-Yang; Jun-Yan Lu; Xiang-Qian Kong; Zhong-Jie Liang; Cheng Luo; Hualiang Jiang
Journal:  Acta Pharmacol Sin       Date:  2012-08-27       Impact factor: 6.150

6.  Discovery, design and synthesis of the first reported potent and selective sphingosine-1-phosphate 4 (S1P4) receptor antagonists.

Authors:  Miguel Guerrero; Mariangela Urbano; Subash Velaparthi; Jian Zhao; Marie-Therese Schaeffer; Steven Brown; Hugh Rosen; Edward Roberts
Journal:  Bioorg Med Chem Lett       Date:  2011-04-28       Impact factor: 2.823

Review 7.  The essential roles of chemistry in high-throughput screening triage.

Authors:  Jayme L Dahlin; Michael A Walters
Journal:  Future Med Chem       Date:  2014-07       Impact factor: 3.808

8.  CSAR benchmark exercise of 2010: combined evaluation across all submitted scoring functions.

Authors:  Richard D Smith; James B Dunbar; Peter Man-Un Ung; Emilio X Esposito; Chao-Yie Yang; Shaomeng Wang; Heather A Carlson
Journal:  J Chem Inf Model       Date:  2011-08-29       Impact factor: 4.956

9.  Identification of novel antimalarial chemotypes via chemoinformatic compound selection methods for a high-throughput screening program against the novel malarial target, PfNDH2: increasing hit rate via virtual screening methods.

Authors:  Raman Sharma; Alexandre S Lawrenson; Nicholas E Fisher; Ashley J Warman; Alison E Shone; Alasdair Hill; Alison Mbekeani; Chandrakala Pidathala; Richard K Amewu; Suet Leung; Peter Gibbons; David W Hong; Paul Stocks; Gemma L Nixon; James Chadwick; Joanne Shearer; Ian Gowers; David Cronk; Serge P Parel; Paul M O'Neill; Stephen A Ward; Giancarlo A Biagini; Neil G Berry
Journal:  J Med Chem       Date:  2012-03-22       Impact factor: 7.446

10.  Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target.

Authors:  Shuntaro Chiba; Kazuyoshi Ikeda; Takashi Ishida; M Michael Gromiha; Y-H Taguchi; Mitsuo Iwadate; Hideaki Umeyama; Kun-Yi Hsin; Hiroaki Kitano; Kazuki Yamamoto; Nobuyoshi Sugaya; Koya Kato; Tatsuya Okuno; George Chikenji; Masahiro Mochizuki; Nobuaki Yasuo; Ryunosuke Yoshino; Keisuke Yanagisawa; Tomohiro Ban; Reiji Teramoto; Chandrasekaran Ramakrishnan; A Mary Thangakani; D Velmurugan; Philip Prathipati; Junichi Ito; Yuko Tsuchiya; Kenji Mizuguchi; Teruki Honma; Takatsugu Hirokawa; Yutaka Akiyama; Masakazu Sekijima
Journal:  Sci Rep       Date:  2015-11-26       Impact factor: 4.379
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