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harinder singh
BMC cancer, 2015
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Editorial: Computational drug discovery of medicinal compounds for cancer management
Faez I Khan
Frontiers in Chemistry, 2023
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A facile in silico drug design strategy based on reference listed drugs and computational modeling of novel anticancer therapeutics
Asha Thomas
Sanat Tasarim Dergisi
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In silico modelling of quantitative structure–activity relationship of multi-target anticancer compounds on k-562 cell line
Stephen Abechi
Network Modeling Analysis in Health Informatics and Bioinformatics, 2018
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Insilico modelling of quantitative structure–activity relationship of pGI50 anticancer compounds on K-562 cell line
Stephen Abechi
Cogent Chemistry
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Implementation of the NCI-60 Human Tumor Cell Line Panel to Screen 2260 Cancer Drug Combinations to Generate >3 Million Data Points Used to Populate a Large Matrix of Anti-Neoplastic Agent Combinations (ALMANAC) Database
Paul Johnston
2019
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Implementation of the NCI-60 Human Tumor Cell Line Panel to Screen 2260 Cancer Drug Combinations to Generate >3 Million Data Points Used to Populate a Large Matrix of Anti-Neoplastic Agent Combinations (ALMANAC) Database
Paul Johnston
SLAS DISCOVERY: Advancing the Science of Drug Discovery
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Data Mining the NCI60 to Predict Generalized Cytotoxicity
Adam Lee
Journal of Chemical Information and Modeling - J CHEM INF MODEL, 2008
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CLC-Pred 2.0: A Freely Available Web Application for In Silico Prediction of Human Cell Line Cytotoxicity and Molecular Mechanisms of Action for Druglike Compounds
Vladimir Poroikov
International Journal of Molecular Sciences
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CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds
Vladimir Poroikov
PloS one, 2018
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Computational modeling tool for biological activity assessment of drug candidate
BRAMAH HAZELA
2018
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Computer-aided drug design and the biological evaluation of anti-cancer drugs
Razia Moorad
2016
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Integrated Computational Analysis of Physicochemical Features, Biological Properties, Kinase Target Prediction and Biotransformation Pathways in Drug Discovery
Dhiya Eddine Bensaad, Mohamed Sabri BENSAAD
International Journal of Pharmacology, 2024
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Computational Drug Target Screening through Protein Interaction Profiles
Fernanda Borges
Scientific Reports, 2016
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Activity and toxicity modelling of some NCI selected compounds against leukemia P388ADR cell line using genetic algorithm-multiple linear regressions
Stephen Abechi
Journal of King Saud University - Science, 2018
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Computational Strategies in Cancer Drug Discovery
Gabriela Wilson
Advances in Cancer Management, 2012
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Chemoinformatics in Multi-target Drug Discovery for Anti-cancer Therapy: In Silico Design of Potent and Versatile Anti-brain Tumor Agents
Alejandro Speck-Planche
Anti-Cancer Agents in Medicinal Chemistry, 2012
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Designing Focused Chemical Libraries Enriched in Protein-Protein Interaction Inhibitors using Machine-Learning Methods
Anne-claude Camproux
PLoS Computational Biology, 2010
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Discovery of novel anti-proliferative compounds against A549 cells by virtual screening
M. Narasu
Chem-Bio Informatics Journal, 2010
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Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation
Mingyue Zheng
Journal of Chemical Information and Modeling, 2011
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In silico pharmacology for drug discovery: applications to targets and beyond
Jordi Mestres
British Journal of Pharmacology, 2007
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ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds
Humberto Santana Santana
European Journal of Medicinal Chemistry, 2007
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Selected approaches for rational drug design and high throughput screening to identify anti-cancer molecules
Paul Diaz
Anti-cancer agents in medicinal chemistry, 2012
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Identification of Potential p38γ Inhibitors via In Silico Screening, In Vitro Bioassay and Molecular Dynamics Simulation Studies
Siaw Hwang
International Journal of Molecular Sciences
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Integrated in Silico Methods for the Design and Optimization of Novel Drug Candidates
Marjana Novič
Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment
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Target Inhibition Networks: Predicting Selective Combinations of Druggable Targets to Block Cancer Survival Pathways
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PLoS Computational Biology, 2013
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A Community Challenge for Pancancer Drug Mechanism of Action Inference from Perturbational Profile Data
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SSRN Electronic Journal
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Trainable structure–activity relationship model for virtual screening of CYP3A4 inhibition
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Journal of Computer-Aided Molecular Design, 2010
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Structure Activity Relationship of Antiproliferative Agents using Multiple Linear Regression
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Chemical Biology & Drug Design, 2009
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Rational drug design for anti-cancer chemotherapy: Multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents
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Bioorganic & Medicinal Chemistry, 2012
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Antitumor Agents 252. Application of validated QSAR models to database mining: discovery of novel tylophorine derivatives as potential anticancer agents
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Journal of Computer-Aided Molecular Design, 2007
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Multi-Assay-Based Structure−Activity Relationship Models: Improving Structure−Activity Relationship Models by Incorporating Activity Information from Related Targets
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Journal of Chemical Information and Modeling, 2009
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