Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
Lipinski, Christopher A, Lombardo, Franco, Dominy, Beryl W, Feeney, Paul J·2001·Advanced Drug Delivery Reviews
Cited by (1,077)
Items 701–800 of 1,077
- Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log PLaura D. Hughes, David Scott Palmer, Florian Nigsch, John B. O. Mitchell · 2008 · Journal of Chemical Information and Modeling
- Nuclear receptors in the multidrug resistance through the regulation of drug-metabolizing enzymes and drug transportersYakun Chen, Yong Tang, Changxiong Guo, Jiuhui Wang, Debasish Boral, Daotai Nie · 2012 · Biochemical Pharmacology
- Novel approaches to developing new antibiotics for bacterial infectionsAnthony R. M. Coates, Yanmin Hu · 2007 · British Journal of Pharmacology
- Getting the most out of PubChem for virtual screeningSunghwan Kim · 2016 · Expert Opinion on Drug Discovery
- Tackling the outer membrane: facilitating compound entry into Gram-negative bacterial pathogensSaxena, Deepanshi, Maitra, Rahul, Bormon, Rakhi, Czekanska, Marta, Meiers, Joscha, Titz, Alexander, Verma, Sandeep, Chopra, Sidharth · 2023 · npj Antimicrobials and Resistance
- Principle and design of pseudo-natural productsGeorge Karageorgis, Daniel J. Foley, Luca Laraia, Herbert Waldmann · 2020 · Nature Chemistry
- The use of biopharmaceutic classification of drugs in drug discovery and development: current status and future extensionHans Lennernäs, Bertil Abrahamsson · 2005 · Journal of Pharmacy and Pharmacology
- TargetHunter: An In Silico Target Identification Tool for Predicting Therapeutic Potential of Small Organic Molecules Based on Chemogenomic DatabaseLirong Wang, Chao Ma, Peter Wipf, Haibin Liu, Weiwei Su, Xiang‐Qun Xie · 2013 · The AAPS Journal
- Pharmacokinetics and drug-likeness of antidiabetic flavonoids: Molecular docking and DFT studyMamaru Bitew Alem, Tegene Desalegn, Taye Beyene Demissie, Anteneh Belayneh, Milkyas Endale, Rajalakshmanan Eswaramoorthy · 2021 · PLoS ONE
- In vitro and in vivo performance of novel supersaturated self-nanoemulsifying drug delivery systems (super-SNEDDS)Thomas, N., Holm, R., Müllertz, A., Rades, T. · 2012 · Journal of Controlled Release
- Bayer’s in silico ADMET platform: a journey of machine learning over the past two decadesGöller, Andreas H., Kuhnke, Lara, Montanari, Floriane, Bonin, Anne, Schneckener, Sebastian, ter Laak, Antonius, Wichard, Jörg, Lobell, Mario, Hillisch, Alexander · 2020 · Drug Discovery Today
- Natural products as an inspiration in the diversity-oriented synthesis of bioactive compound librariesChristopher Cordier, Daniel Morton, Sarah Murrison, Adam S. Nelson, Catherine O'Leary-Steele · 2008 · Natural Product Reports
- In Silico Approaches for Predicting ADME Properties of DrugsFumiyoshi Yamashita, Mitsuru Hashida · 2004 · Drug Metabolism and Pharmacokinetics
- Delivery of Lipophilic Bioactives: Assembly, Disassembly, and Reassembly of Lipid NanoparticlesMingfei Yao, Hang Xiao, David Julian McClements · 2013 · Annual Review of Food Science and Technology
- Pharmacokinetic and Pharmacodynamic Properties of Drug Delivery SystemsPatrick M. Glassman, Vladimir R. Muzykantov · 2019 · Journal of Pharmacology and Experimental Therapeutics
- Transition metal chelators, pro-chelators, and ionophores as small molecule cancer chemotherapeutic agentsAxel Steinbrueck, Adam C. Sedgwick, James T. Brewster, Kai‐Cheng Yan, Ying Shang, Daniel M. Knoll, Gabriela I. Vargas‐Zúñiga, Xiao‐Peng He, He Tian, Jonathan L. Sessler · 2020 · Chemical Society Reviews
- High speed electrospinning for scaled-up production of amorphous solid dispersion of itraconazoleZsombor Kristóf Nagy, Attila Balogh, Balázs Démuth, Hajnalka Pataki, Tamás Vígh, Bence Szabó, Kolos Molnár, Bence T. Schmidt, Péter Horák, György Marosi et al. · 2015 · International Journal of Pharmaceutics
- Novel Pieces for the Emerging Picture of Sulfoximines in Drug Discovery: Synthesis and Evaluation of Sulfoximine Analogues of Marketed Drugs and Advanced Clinical CandidatesJuan Alberto Sirvent, Ulrich Lücking · 2017 · ChemMedChem
- Progress in Structure Based Drug Design for G Protein-Coupled ReceptorsMiles Congreve, CHRISTOPHER JAMES LANGMEAD, Jonathan S. Mason, Fiona H. Marshall · 2011 · Journal of Medicinal Chemistry
- Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine β-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand EfficiencyPhilip D. Edwards, Jeffrey S. Albert, Mark A. Sylvester, David Aharony, Donald W. Andisik, Owen Callaghan, James B. Campbell, Robin A. E. Carr, Gianni Chessari, Miles Congreve et al. · 2007 · Journal of Medicinal Chemistry
- Solubility and Dissolution Profile Assessment in Drug DiscoveryKiyohiko Sugano, Arimichi Okazaki, Shohei Sugimoto, Sumitra Tavornvipas, Atsushi Omura, Takashi Mano · 2007 · Drug Metabolism and Pharmacokinetics
- Quantitative structure–activity relationships (QSARs) for the prediction of skin permeation of exogenous chemicalsHiren K. Patel, Wil ten Berge, M Cronin · 2002 · Chemosphere
- Identification of N-phenyl-N′-(2,2,6,6-tetramethyl-piperidin-4-yl)-oxalamides as a new class of HIV-1 entry inhibitors that prevent gp120 binding to CD4Qian Zhao, Liying Ma, Shibo Jiang, Hong Lü, Shuwen Liu, Yuxian He, Nathan Strick, Nouri Neamati, Asim Kumar Debnath · 2005 · Virology
- Hybrid Drugs—A Strategy for Overcoming Anticancer Drug Resistance?Marta Szumilak, Anna Wiktorowska‐Owczarek, Andrzej Stańczak · 2021 · Molecules
- Lipophilic Permeability Efficiency Reconciles the Opposing Roles of Lipophilicity in Membrane Permeability and Aqueous SolubilityMatthew R. Naylor, Andrew M. Ly, Mason J. Handford, Daniel P. Ramos, Cameron R. Pye, Akihiro Furukawa, Victoria G. Klein, Ryan P. Noland, Quinn D. Edmondson, Alexandra C. Turmon et al. · 2018 · Journal of Medicinal Chemistry
- Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements?Antonio Llinàs, Robert Charles Glen, Jonathan M. Goodman · 2008 · Journal of Chemical Information and Modeling
- Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approachesAnuj Kumar, Gourav Choudhir, Sanjeev Kumar Shukla, Mansi Sharma, Pankaj Kumar Tyagi, Arvind Bhushan, Madhu Rathore · 2020 · Journal of Biomolecular Structure and Dynamics
- Enhanced Oral Bioavailability of a Poorly Water Soluble Drug PNU‐91325 by Supersaturatable FormulationsPing Gao, Michael E. Guyton, Tiehua Huang, Juliane M. Bauer, Kevin J. Stefanski, Qun Lu · 2004 · Drug Development and Industrial Pharmacy
- Computer-aided drug design: the next 20 yearsJohn H. Van Drie · 2007 · Journal of Computer-Aided Molecular Design
- ChemGPS-NP: Tuned for Navigation in Biologically Relevant Chemical SpaceJosefin Larsson, Johan Gottfries, Sorel Mureşan, Anders Backlund · 2007 · Journal of Natural Products
- Structural and conformational determinants of macrocycle cell permeabilityBjörn Over, Pär Matsson, Christian Tyrchan, Per Artursson, B.C. Doak, Michael A. Foley, Constanze Hilgendorf, Stephen E. Johnston, Maurice D. Lee, Richard James Lewis et al. · 2016 · Nature Chemical Biology
- Cryptic binding sites on proteins: definition, detection, and druggabilitySándor Vajda, Dmitri Beglov, Amanda Wakefield, Megan E. Egbert, Adrian Whitty · 2018 · Current Opinion in Chemical Biology
- Substructural fragments: an universal language to encode reactions, molecular and supramolecular structuresVarnek, A., Fourches, D., Hoonakker, F., Solov’ev, V. P. · 2005 · Journal of Computer-Aided Molecular Design
- Solution Conformations Shed Light on PROTAC Cell PermeabilityAtilaw, Yoseph, Poongavanam, Vasanthanathan, Svensson Nilsson, Caroline, Nguyen, Duy, Giese, Anja, Meibom, Daniel, Erdelyi, Mate, Kihlberg, Jan · 2021 · ACS Medicinal Chemistry Letters
- Pharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid DehydrogenasesTeresa Kaserer, Katharina R. Beck, Muhammad Akram, Alex Odermatt, Daniela Schuster · 2015 · Molecules
- Pharmacology beyond the patient – The environmental risks of human drugsLina M. Gunnarsson, Jason Snape, Bas Verbruggen, Stewart F. Owen, Erik Kristiansson, Luigi Margiotta‐Casaluci, Tobias Österlund, Kathryn Hutchinson, Dean Leverett, Becky Marks et al. · 2019 · Environment International
- Properties of FDA-approved small molecule protein kinase inhibitors: A 2022 updateRobert Jr. Roskoski · 2021 · Pharmacological Research
- Medicinal chemistry of target family-directed masterkeysGerhard Müller · 2003 · Drug Discovery Today
- A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug designGraeme L. Card, Landy K. Blasdel, Bruce P. England, Chao Zhang, Yoshihisa Suzuki, Sam Gillette, Daniel Fong, Prabha N. Ibrahim, Dean R. Artis, Gideon E. Bollag et al. · 2005 · Nature Biotechnology
- 1,2,3-Triazole derivatives as antitubercular agents: synthesis, biological evaluation and molecular docking studyMubarak Hanif Shaikh, Dnyaneshwar D. Subhedar, Laxman Nawale, Dhiman M. Sarkar, Firoz A. Kalam Khan, Jaiprakash Navnath Sangshetti, Bapurao B. Shingate · 2015 · MedChemComm
- Molecular properties prediction and synthesis of novel 1,3,4-oxadiazole analogues as potent antimicrobial and antitubercular agentsMohamed Jawed Ahsan, Jeyabalan Govinda Samy, Habibullah Khalilullah, Md. Shivli Nomani, Pankaj Saraswat, Ramakant Gaur, Abhimanyu Kumar Singh · 2011 · Bioorganic & Medicinal Chemistry Letters
- Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1 H -pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia†Coordinates of the PDE10A crystal structures have been deposited in the Protein Data Bank for compound 1 (3HQW), 2 (3HQY), 3 (3HQW) and 9 (3HR1).Patrick R. Verhoest, Douglas S. Chapin, Michael L. Corman, Kari R. Fonseca, John F. Harms, Xinjun Hou, Eric S. Marr, Frank S. Menniti, Frederick Nelson, Rebecca O’Connor et al. · 2009 · Journal of Medicinal Chemistry
- Evaluation of Dynamic Polar Molecular Surface Area as Predictor of Drug Absorption: Comparison with Other Computational and Experimental PredictorsKatrin Palm, Kristina Luthman, Anna-Lena B. Ungell, Gert Strandlund, Farideh Beigi, Per Lundahl, Per Artursson · 1998 · Journal of Medicinal Chemistry
- Elimination of substances from the brain parenchyma: efflux via perivascular pathways and via the blood–brain barrierHladky, Stephen B., Barrand, Margery A. · 2018 · Fluids and Barriers of the CNS
- Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemiaAibin Shi, Marcelo J. Murai, Shihan He, George Lund, Thomas Hartley, Trupta Purohit, Gireesh Reddy, M. Chruszcz, Jolanta E. Grembecka, Tomasz Cierpicki · 2012 · Blood
- High-Throughput Screening Identifies Inhibitors of the SARS Coronavirus Main ProteinaseJan Blanchard, Nadine H. Elowe, Carly Huitema, Pascal D. Fortin, Jonathan D. Cechetto, Lindsay D. Eltis, Eric D. Brown · 2004 · Chemistry & Biology
- Molecular DynamicsP. Sneha, C. George Priya Doss · 2015 · Advances in protein chemistry and structural biology
- The discovery of potential acetylcholinesterase inhibitors: A combination of pharmacophore modeling, virtual screening, and molecular docking studiesLu, Shin-Hua, Wu, Josephine W, Liu, Hsuan-Liang, Zhao, Jian-Hua, Liu, Kung-Tien, Chuang, Chih-Kuang, Lin, Hsin-Yi, Tsai, Wei-Bor, Ho, Yih · 2011 · Journal of Biomedical Science
- Nanoscale drug delivery systems and the blood–brain barrierKhalin, Igor, Alyautdin, Renad, Ismail, Nafeeza Mohd, Haron, Muhammad Huzaimi, Kuznetsov, Dmitry · 2014 · International Journal of Nanomedicine
- Application of ALOGPS to predict 1‐octanol/water distribution coefficients, logP, and logD, of AstraZeneca in‐house databaseIgor V. Tetko, Pierre Bruneau · 2004 · Journal of Pharmaceutical Sciences
- Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformaticsRoberto Olivares‐Amaya, Carlos Amador‐Bedolla, Johannes Hachmann, Şule Atahan-Evrenk, Roel S. Sánchez‐Carrera, Leslie Vogt-Maranto, Alán Aspuru‐Guzik · 2011 · Energy & Environmental Science
- Fragments, network biology and designing multiple ligandsRichard Morphy, Zoran Ranković · 2006 · Drug Discovery Today
- Measurement of Dissociation Constants (pKa Values) of Organic Compounds by Multiplexed Capillary Electrophoresis Using Aqueous and Cosolvent Buffers**Advanced Analytical Technologies, Inc. (Formerly CombiSep), 2711 South Loop Drive, Suite 4200, Ames, IA 50010.Marina Y. Shalaeva, Jeremy R. Kenseth, Franco Lombardo, Andrea Bastin · 2008 · Journal of Pharmaceutical Sciences
- The solubility–permeability interplay and oral drug formulation design: Two heads are better than oneArik Dahan, Avital Beig, David Lindley, Jonathan M. Miller · 2016 · Advanced Drug Delivery Reviews
- Recognition of Natural Products as Potential Inhibitors of COVID-19 Main Protease (Mpro): In-Silico EvidencesRohan R. Narkhede, Ashwini Pise, Rameshwar S. Cheke, Sachin D. Shinde · 2020 · Natural Products and Bioprospecting
- Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt TumorsHolzer, Philipp, Masuya, Keiichi, Furet, Pascal, Kallen, Joerg, Valat-Stachyra, Therese, Ferretti, Stéphane, Berghausen, Joerg, Bouisset-Leonard, Michèle, Buschmann, Nicole, Pissot-Soldermann, Carole et al. · 2015 · Journal of Medicinal Chemistry
- Small Molecule Modulators of Copper-Induced Aβ AggregationHindo, Sarmad S., Mancino, Allana M., Braymer, Joseph J., Liu, Yihong, Vivekanandan, Subramanian, Ramamoorthy, Ayyalusamy, Lim, Mi Hee · 2009 · Journal of the American Chemical Society
- What do we know and when do we know it?Anthony O. Nicholls · 2008 · Journal of Computer-Aided Molecular Design
- From fragment to clinical candidate—a historical perspectiveGianni Chessari, Andrew Woodhead · 2009 · Drug Discovery Today
- Library Design for Fragment Based ScreeningAnsgar Schuffenhauer, Simon Rüdisser, Andreas L. Marzinzik, Wolfgang Jahnke, Paul M. Selzer, Edgar Jacoby · 2005 · Current Topics in Medicinal Chemistry
- Promiscuous Aggregate-Based Inhibitors Promote Enzyme UnfoldingKristin E. D. Coan, David A. Maltby, Alma L. Burlingame, Brian K. Shoichet · 2009 · Journal of Medicinal Chemistry
- Machine Learning-based Virtual Screening and Its Applications to Alzheimer’s Drug Discovery: A ReviewKristy A. Carpenter, Xudong Huang · 2018 · Current Pharmaceutical Design
- Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ<sub>42</sub>PeptideSharma, Anuj K., Pavlova, Stephanie T., Kim, Jaekwang, Finkelstein, Darren, Hawco, Nicholas J., Rath, Nigam P., Kim, Jungsu, Mirica, Liviu M. · 2012 · Journal of the American Chemical Society
- The Rule of Five for Non-Oral Routes of Drug Delivery: Ophthalmic, Inhalation and TransdermalYoung Bin Choy, Mark R. Prausnitz · 2010 · Pharmaceutical Research
- Solubility Advantage of Amorphous Pharmaceuticals: II. Application of Quantitative Thermodynamic Relationships for Prediction of Solubility Enhancement in Structurally Diverse Insoluble PharmaceuticalsSharad B. Murdande, Michael Jon Pikal, Ravi M. Shanker, Robin H. Bogner · 2010 · Pharmaceutical Research
- Alzheimer's disease drug development and the problem of the blood‐brain barrierWilliam M. Pardridge · 2009 · Alzheimer s & Dementia
- Discovery of 4-Benzoyl-1-[(4-methoxy-1H- pyrrolo[2,3-b]pyridin-3-yl)oxoacetyl]-2- (R)-methylpiperazine (BMS-378806): A Novel HIV-1 Attachment Inhibitor That Interferes with CD4-gp120 InteractionsTao Wang, Zhongxing Zhang, Owen B. Wallace, Milind Deshpande, Haiquan Fang, Zheng Yang, Lisa M. Zadjura, Donald L. Tweedie, Xiaohua Stella Huang, Fang Zhao et al. · 2003 · Journal of Medicinal Chemistry
- PKIDB: A Curated, Annotated and Updated Database of Protein Kinase Inhibitors in Clinical TrialsFabrice Carles, Stéphane Bourg, Christophe Meyer, Pascal Bonnet · 2018 · Molecules
- Selective Optimization of Side Activities: Another Way for Drug DiscoveryCamille Georges Wermuth · 2004 · Journal of Medicinal Chemistry
- Impact of non-proteinogenic amino acids in the discovery and development of peptide therapeuticsDing, Yun, Ting, Joey Paolo, Liu, Jinsha, Al-Azzam, Shams, Pandya, Priyanka, Afshar, Sepideh · 2020 · Amino Acids
- Designing novel building blocks is an overlooked strategy to improve compound qualityFrederick W. Goldberg, Jason G. Kettle, Thierry Kogej, Matthew W. D. Perry, Nick P. Tomkinson · 2014 · Drug Discovery Today
- Spontaneous Membrane-Translocating Peptides by Orthogonal High-Throughput ScreeningJessica R. Marks, Jesse K. Placone, Kalina A. Hristova, William C. Wimley · 2011 · Journal of the American Chemical Society
- Nasal Drug Delivery in HumansChristoph Bitter, Katja Suter, Christian Surber · 2011 · Current problems in dermatology
- Bacteriophages and phage-inspired nanocarriers for targeted delivery of therapeutic cargosMahdi Karimi, Hamed Mirshekari, Seyed Masoud Moosavi Basri, Sajad Bahrami, Mohsen Moghoofei, Michael Richard Hamblin · 2016 · Advanced Drug Delivery Reviews
- Prey for the Proteasome: Targeted Protein Degradation—A Medicinal Chemist's PerspectiveLaura Martina Luh, Ulrike Scheib, Katrin Juenemann, Lars Wortmann, Michael Brands, Philipp M. Cromm · 2020 · Angewandte Chemie International Edition
- Drug permeability profiling using cell-free permeation tools: overview and applicationsBerben, Philippe, Bauer-Brandl, Annette, Brandl, Martin, Faller, Bernard, Flaten, Gøril Eide, Jacobsen, Ann-Christin, Brouwers, Joachim, Augustijns, Patrick · 2018 · European Journal of Pharmaceutical Sciences
- Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potentialCherif Farid Matta · 2014 · Journal of Computational Chemistry
- Structure−Activity Relationship Study of Betulinic Acid, A Novel and Selective TGR5 Agonist, and Its Synthetic Derivatives: Potential Impact in DiabetesCédric Genet, Axelle Strehle, Céline Schmidt, Geoffrey Boudjelal, Annelise Lobstein, Kristina Schoonjans, Michel Souchet, Johan H. Auwerx, Régis Saladin, Alain Wagner · 2009 · Journal of Medicinal Chemistry
- Drug Liposome Partitioning as a Tool for the Prediction of Human Passive Intestinal AbsorptionK. Balon, Bernd U. Riebesehl, Bernhard W. Müller · 1999 · Pharmaceutical Research
- sc-PDB: an Annotated Database of Druggable Binding Sites from the Protein Data BankEsther Kellenberger, Pascal Müller, Claire Schalon, Guillaume Bret, Nicolas Foata, Didier Rognan · 2006 · Journal of Chemical Information and Modeling
- Form and Function in Cyclic Peptide Natural Products: A Pharmacokinetic PerspectiveAndrew T. Bockus, Cayla M. McEwen, R. Scott Lokey · 2013 · Current Topics in Medicinal Chemistry
- Strategies for formulating and delivering poorly water-soluble drugsMarta Rodriguez-Aller, Davy Guillarme, Jean‐Luc Veuthey, Robert Gurny · 2015 · Journal of Drug Delivery Science and Technology
- Considerations in the Development of Reversibly Binding PET Radioligands for Brain ImagingVictor William Pike · 2016 · Current Medicinal Chemistry
- Non-invasive drug delivery technology: development and current status of transdermal drug delivery devices, techniques and biomedical applicationsNaseem Akhtar, Varsha Singh, Mohammad Yusuf, Riaz A. Khan · 2020 · Biomedizinische Technik/Biomedical Engineering
- Polymeric micelles of biodegradable diblock copolymers: enhanced encapsulation of hydrophobic drugsHussein, Yasser H. A., Youssry, Mohamed · 2018 · Materials
- Toxicology Strategies for Drug Discovery: Present and FutureEric A.G. Blomme, Yvonne Will · 2015 · Chemical Research in Toxicology
- Protein-protein interaction modulators: advances, successes and remaining challengesLloyd Mabonga, Abidemi Paul Kappo · 2019 · Biophysical Reviews
- Classification of Cytochrome P450 Inhibitors and Noninhibitors Using Combined ClassifiersFeixiong Cheng, Yue Yu, Jie Shen, Lei Yang, Weihua Li, Guixia Liu, Philip W. Lee, Yun Tang · 2011 · Journal of Chemical Information and Modeling
- Experimental and Computational Screening Models for Prediction of Aqueous Drug SolubilityChristel A. S. Bergström, Ulf Norinder, Kristina Luthman, Per Artursson · 2002 · Pharmaceutical Research
- Histamine H3 Receptor Antagonists Go to ClinicsKerstin Sander, Tim Kottke, Holger Stark · 2008 · Biological and Pharmaceutical Bulletin
- Dissolution Improvement and the Mechanism of the Improvement from Cocrystallization of Poorly Water-soluble CompoundsKoji Shiraki, Noriyuki Takata, Ryusuke Takano, Yoshiki Hayashi, Katsuhide Terada · 2008 · Pharmaceutical Research
- Towards Robot Scientists for autonomous scientific discoveryAndrew Sparkes, Wayne Aubrey, E Byrne, Amanda J. Clare, M. N. A. Khan, Maria Liakata, Magdalena Markham, Jem J. Rowland, Larisa Soldatova, Kenneth E. Whelan et al. · 2010 · Automated Experimentation
- Use of a Dynamic in Vitro Lipolysis Model to Rationalize Oral Formulation Development for Poor Water Soluble Drugs: Correlation with in Vivo Data and the Relationship to Intra-Enterocyte Processes in RatsArik Dahan, Amnon Hoffman · 2006 · Pharmaceutical Research
- Development of a Purine-Scaffold Novel Class of Hsp90 Binders that Inhibit the Proliferation of Cancer Cells and Induce the Degradation of Her2 Tyrosine KinaseGabriela Chiosis, Brian S. Lucas, Alexander Albertovich Shtil, Henri Huezo, Neal X. Rosen · 2002 · Bioorganic & Medicinal Chemistry
- Cyclic Peptides as Drugs for Intracellular Targets: The Next Frontier in Peptide Therapeutic DevelopmentLaura K. Buckton, Marwa Nadia Rahimi, Shelli R. McAlpine · 2020 · Chemistry - A European Journal
- Modeling the expansion of virtual screening librariesLyu, Jiankun, Irwin, John J., Shoichet, Brian K. · 2023 · Nature Chemical Biology
- Current trends in lead discovery: Are we looking for the appropriate properties?Tudor Ionel Oprea · 2002 · Journal of Computer-Aided Molecular Design
- Predicting aqueous solubility from structureJohn S. Delaney · 2005 · Drug Discovery Today
- Calculating Partition Coefficients of Small Molecules in Octanol/Water and Cyclohexane/WaterCaitlin C. Bannan, Gaetano Calabrò, Daisy Y. Kyu, David L. Mobley · 2016 · Journal of Chemical Theory and Computation
- A comprehensive review in improving delivery of small-molecule chemotherapeutic agents overcoming the blood-brain/brain tumor barriers for glioblastoma treatmentDa Wang, Chao Wang, Liang Wang, Yue Chen · 2019 · Drug Delivery