Weighted Averaging Scheme and Local Atomic Descriptor for pK (Record no. 28001918)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 00992 a2200289 4500 |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20250517195135.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 201901s 0 0 eng d |
| 022 ## - INTERNATIONAL STANDARD SERIAL NUMBER | |
| International Standard Serial Number | 1549-960X |
| 024 7# - OTHER STANDARD IDENTIFIER | |
| Standard number or code | 10.1021/acs.jcim.7b00537 |
| Source of number or code | doi |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | NLM |
| Language of cataloging | eng |
| Transcribing agency | NLM |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Yu, Haoyu S |
| 264 #0 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE | |
| Date of production, publication, distribution, manufacture, or copyright notice | 20190124 |
| 245 00 - TITLE STATEMENT | |
| Title | Weighted Averaging Scheme and Local Atomic Descriptor for pK |
| Medium | [electronic resource] |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. | |
| Name of publisher, distributor, etc. | Journal of chemical information and modeling |
| Date of publication, distribution, etc. | 02 2018 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 271-286 p. |
| Other physical details | digital |
| 500 ## - GENERAL NOTE | |
| General note | Publication Type: Journal Article |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Density Functional Theory |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Models, Chemical |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Molecular Structure |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Protons |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Thermodynamics |
| 650 04 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Workflow |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Watson, Mark A |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Bochevarov, Art D |
| 773 0# - HOST ITEM ENTRY | |
| Title | Journal of chemical information and modeling |
| Related parts | vol. 58 |
| -- | no. 2 |
| -- | p. 271-286 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="https://doi.org/10.1021/acs.jcim.7b00537">https://doi.org/10.1021/acs.jcim.7b00537</a> |
| Public note | Available from publisher's website |
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