Search results for "drug-likeness"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
102	Amanda C. Schierz, Ross D. King	Drugs and Drug-Like Compounds: Discriminating Approved Pharmaceuticals from Screening-Library Compounds.	PRIB	2009	DBLP DOI BibTeX RDF	drug-likeness, Rule of 5, compound screening library, machine learning, Inductive Logic Programming
60	Vladimir V. Zernov, Konstantin V. Balakin, Andrey A. Ivaschenko, Nikolay P. Savchuk, Igor V. Pletnev	Drug Discovery Using Support Vector Machines. The Case Studies of Drug-likeness, Agrochemical-likeness, and Enzyme Inhibition Predictions.	J. Chem. Inf. Comput. Sci.	2003	DBLP DOI BibTeX RDF
47	Sheng Tian, Youyong Li, Junmei Wang, Xiaojie Xu, Lei Xu 0035, Xiaohong Wang, Lei Chen, Tingjun Hou	Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines.	J. Cheminformatics	2013	DBLP DOI BibTeX RDF
47	Mingyun Shen, Sheng Tian, Youyong Li, Qian Li, Xiaojie Xu, Junmei Wang, Tingjun Hou	Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese medicines.	J. Cheminformatics	2012	DBLP DOI BibTeX RDF
38	Qiang Li, Shiyong Ma, Xuelu Zhang, Zhaoyu Zhai, Lu Zhou, Haodong Tao, Yachen Wang, Jianbo Pan	DDPD 1.0: a manually curated and standardized database of digital properties of approved drugs for drug-likeness evaluation and drug development.	Database J. Biol. Databases Curation	2022	DBLP DOI BibTeX RDF
38	Qiang Li, Shiyong Ma, Xuelu Zhang, Zhaoyu Zhai, Lu Zhou, Haodong Tao, Yachen Wang, Jianbo Pan	Correction to: DDPD 1.0: a manually curated and standardized database of digital properties of approved drugs for drug-likeness evaluation and drug development.	Database J. Biol. Databases Curation	2022	DBLP DOI BibTeX RDF
38	Derek A. Debe, Ravindra B. Mamidipaka, Robert J. Gregg, James T. Metz, Rishi R. Gupta, Steven W. Muchmore	ALOHA: a novel probability fusion approach for scoring multi-parameter drug-likeness during the lead optimization stage of drug discovery.	J. Comput. Aided Mol. Des.	2013	DBLP DOI BibTeX RDF
30	Mingyang Wang, Zhengjian Wu, Jike Wang, Gaoqi Weng, Yu Kang 0002, Peichen Pan, Dan Li 0013, Yafeng Deng, Xiaojun Yao, Zhitong Bing, Chang-Yu Hsieh, Tingjun Hou	Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space.	J. Chem. Inf. Model.	2024	DBLP DOI BibTeX RDF
30	Yaxin Gu, Yimeng Wang, Keyun Zhu, Weihua Li 0005, Guixia Liu, Yun Tang 0001	DBPP-Predictor: a novel strategy for prediction of chemical drug-likeness based on property profiles.	J. Cheminformatics	2024	DBLP DOI BibTeX RDF
30	Imad Ahmad, Haroon Khan, Goncagül Serdaroglu	Physicochemical properties, drug likeness, ADMET, DFT studies, and in vitro antioxidant activity of oxindole derivatives.	Comput. Biol. Chem.	2023	DBLP DOI BibTeX RDF
30	Jinyu Sun, Ming Wen 0003, Huabei Wang, Yuezhe Ruan, Qiong Yang, Xiao Kang, Hailiang Zhang, Zhimin Zhang, Hongmei Lu	Prediction of drug-likeness using graph convolutional attention network.	Bioinform.	2022	DBLP DOI BibTeX RDF
30	Miroslava Nedyalkova, Vasil Simeonov	Partitioning Pattern of Natural Products Based on Molecular Properties Descriptors Representing Drug-Likeness.	Symmetry	2021	DBLP DOI BibTeX RDF
30	Hakani D. Sympli	Estimation of drug-likeness properties of GC-MS separated bioactive compounds in rare medicinal Pleione maculata using molecular docking technique and SwissADME in silico tools.	Netw. Model. Anal. Health Informatics Bioinform.	2021	DBLP DOI BibTeX RDF
30	Takatsugi Kosugi, Masahito Ohue	Quantitative Estimate of Protein-Protein Interaction Targeting Drug-likeness.	CIBCB	2021	DBLP DOI BibTeX RDF
30	Wiktor Beker, Agnieszka Wolos, Sara Szymkuc, Bartosz A. Grzybowski	Minimal-uncertainty prediction of general drug-likeness based on Bayesian neural networks.	Nat. Mach. Intell.	2020	DBLP DOI BibTeX RDF
30	P. Manjusha, Johanan Christian Prasana, S. Muthu, Fathima Rizwana B.	Spectroscopic elucidation (FT-IR, FT-Raman and UV-visible) with NBO, NLO, ELF, LOL, drug likeness and molecular docking analysis on 1-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazole: An antiprotozoal agent.	Comput. Biol. Chem.	2020	DBLP DOI BibTeX RDF
30	Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik	Chemical-Reactivity Properties, Drug Likeness, and Bioactivity Scores of Seragamides A-F Anticancer Marine Peptides: Conceptual Density Functional Theory Viewpoint.	Comput.	2019	DBLP DOI BibTeX RDF
30	Peter W. Kenny, Carlos A. Montanari	Inflation of correlation in the pursuit of drug-likeness.	J. Comput. Aided Mol. Des.	2013	DBLP DOI BibTeX RDF
30	Yoshifumi Fukunishi, Haruki Nakamura	Definition of Drug-Likeness for Compound Affinity.	J. Chem. Inf. Model.	2011	DBLP DOI BibTeX RDF
30	Oleg Ursu, Tudor I. Oprea	Model-Free Drug-Likeness from Fragments.	J. Chem. Inf. Model.	2010	DBLP DOI BibTeX RDF
30	Klaus-Robert Müller, Gunnar Rätsch, Sören Sonnenburg, Sebastian Mika, Michael Grimm, Nikolaus Heinrich	Classifying 'Drug-likeness' with Kernel-Based Learning Methods.	J. Chem. Inf. Model.	2005	DBLP DOI BibTeX RDF
30	Yuji Takaoka, Yutaka Endo, Susumu Yamanobe, Hiroyuki Kakinuma, Taketoshi Okubo, Youichi Shimazaki, Tomomi Ota, Shigeyuki Sumiya, Kensei Yoshikawa	Development of a Method for Evaluating Drug-Likeness and Ease of Synthesis Using a Data Set in Which Compounds Are Assigned Scores Based on Chemists' Intuition.	J. Chem. Inf. Comput. Sci.	2003	DBLP DOI BibTeX RDF