4.6 Article

Nonpher: computational method for design of hard-to-synthesize structures

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Biochemistry & Molecular Biology

KEGG as a reference resource for gene and protein annotation

Minoru Kanehisa et al.

NUCLEIC ACIDS RESEARCH (2016)

Article Biochemistry & Molecular Biology

PubChem Substance and Compound databases

Sunghwan Kim et al.

NUCLEIC ACIDS RESEARCH (2016)

Article Chemistry, Medicinal

Prediction of Synthetic Accessibility Based on Commercially Available Compound Databases

Yoshifumi Fukunishi et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)

Article Chemistry, Multidisciplinary

Molpher: a software framework for systematic chemical space exploration

David Hoksza et al.

JOURNAL OF CHEMINFORMATICS (2014)

Article Chemistry, Medicinal

ZINC: A Free Tool to Discover Chemistry for Biology

John J. Irwin et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)

Article Biochemistry & Molecular Biology

KEGG for integration and interpretation of large-scale molecular data sets

Minoru Kanehisa et al.

NUCLEIC ACIDS RESEARCH (2012)

Article Chemistry, Medicinal

RASA: A Rapid Retrosynthesis-Based Scoring Method for the Assessment of Synthetic Accessibility of Drug-like Molecules

Qi Huang et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)

Article Chemistry, Medicinal

Assessing Synthetic Accessibility of Chemical Compounds Using Machine Learning Methods

Yevgeniy Podolyan et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)

Article Chemistry, Medicinal

Extended-Connectivity Fingerprints

David Rogers et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)

Article Biochemistry & Molecular Biology

Structure and reaction based evaluation of synthetic accessibility

Krisztina Boda et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2007)

Article Chemistry, Medicinal

Contemporary QSAR classifiers compared

Craig L. Bruce et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)

Article Chemistry, Medicinal

Random forest models to predict aqueous solubility

David S. Palmer et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)

Review Pharmacology & Pharmacy

Virtual ligand screening: strategies, perspectives and limitations

Gerhard Klebe

DRUG DISCOVERY TODAY (2006)

Article Chemistry, Medicinal

Rapid evaluation of synthetic and molecular complexity for in silico chemistry

TK Allu et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2005)

Review Biochemistry & Molecular Biology

Complex molecules: do they add value?

P Selzer et al.

CURRENT OPINION IN CHEMICAL BIOLOGY (2005)

Article Chemistry, Medicinal

Assessment of the consistency of medicinal chemists in reviewing sets of compounds

MS Lajiness et al.

JOURNAL OF MEDICINAL CHEMISTRY (2004)

Review Chemistry, Medicinal

Predicting synthetic accessibility: Application in drug discovery and development

JC Baber et al.

MINI-REVIEWS IN MEDICINAL CHEMISTRY (2004)

Article Multidisciplinary Sciences

Virtual screening of chemical libraries

BK Shoichet

NATURE (2004)

Article Chemistry, Multidisciplinary

Random forest: A classification and regression tool for compound classification and QSAR modeling

V Svetnik et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)

Article Chemistry, Multidisciplinary

A new and simple approach to chemical complexity. Application to the synthesis of natural products

R Barone et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)